cis-(1S,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-1-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide

C60H67F2N15O9S6 — CID 167586403

IUPACcis-(1S,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-1-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2nc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)s4)n3n2)CC1(F)F.C[C@@H]1C[C@@H]1C(=O)Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)s3)n2n1.C[C@@H]1C[C@H]1C(=O)Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)s3)n2n1
InChIInChI=1S/C20H21F2N5O3S2.2C20H23N5O3S2/c1-19(12-20(19,21)22)17(28)24-18-23-16-4-2-3-14(27(16)25-18)15-6-5-13(31-15)11-26-7-9-32(29,30)10-8-26;2*1-13-11-15(13)19(26)22-20-21-18-4-2-3-16(25(18)23-20)17-6-5-14(29-17)12-24-7-9-30(27,28)10-8-24/h2-6H,7-12H2,1H3,(H,24,25,28);2*2-6,13,15H,7-12H2,1H3,(H,22,23,26)/t;13-,15+;13-,15-/m.11/s1
InChIKeyHVZSWVXRQVFHFJ-OXANLNIESA-N
MW1372.69 g/mol
LogP7.24
Rot. Bonds15

About cis-(1S,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-1-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-1-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 167586403) has the molecular formula C60H67F2N15O9S6 and a molecular weight of 1372.69 g/mol. Its IUPAC name is cis-(1S,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-1-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-1-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID167586403
Molecular FormulaC60H67F2N15O9S6
Molecular Weight1372.69 g/mol
Exact Mass1371.35
IUPAC Namecis-(1S,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-1-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2nc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)s4)n3n2)CC1(F)F.C[C@@H]1C[C@@H]1C(=O)Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)s3)n2n1.C[C@@H]1C[C@H]1C(=O)Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)s3)n2n1
InChIInChI=1S/C20H21F2N5O3S2.2C20H23N5O3S2/c1-19(12-20(19,21)22)17(28)24-18-23-16-4-2-3-14(27(16)25-18)15-6-5-13(31-15)11-26-7-9-32(29,30)10-8-26;2*1-13-11-15(13)19(26)22-20-21-18-4-2-3-16(25(18)23-20)17-6-5-14(29-17)12-24-7-9-30(27,28)10-8-24/h2-6H,7-12H2,1H3,(H,24,25,28);2*2-6,13,15H,7-12H2,1H3,(H,22,23,26)/t;13-,15+;13-,15-/m.11/s1
InChIKeyHVZSWVXRQVFHFJ-OXANLNIESA-N
XLogP7.24
TPSA290.01 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001372.69
LogP ≤ 57.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze cis-(1S,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-1-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 156063092
N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-1-methylcyclopropane-1-carboxamide
CID 156063094
cis-(1S,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 156063157
trans-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 156063158
trans-(1R,2S)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 156063162
N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 167104465
trans-(1R,2S)-N-[5-[5-(chloromethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;4-(trifluoromethoxy)piperidine
CID 167605717
4,4-difluoropiperidine;trans-(1R,2S)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 167620380
N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 167703380
N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide
CID 167536963
cis-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;1,4-thiazinane 1,1-dioxide
CID 167585168
trans-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide
CID 167586404

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-1-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-1-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide (CID 167586403) is cis-(1S,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-1-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-1-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-1-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide is CC1(C(=O)Nc2nc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)s4)n3n2)CC1(F)F.C[C@@H]1C[C@@H]1C(=O)Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)s3)n2n1.C[C@@H]1C[C@H]1C(=O)Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)s3)n2n1.
What is the InChIKey of cis-(1S,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-1-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is HVZSWVXRQVFHFJ-OXANLNIESA-N. The full InChI is InChI=1S/C20H21F2N5O3S2.2C20H23N5O3S2/c1-19(12-20(19,21)22)17(28)24-18-23-16-4-2-3-14(27(16)25-18)15-6-5-13(31-15)11-26-7-9-32(29,30)10-8-26;2*1-13-11-15(13)19(26)22-20-21-18-4-2-3-16(25(18)23-20)17-6-5-14(29-17)12-24-7-9-30(27,28)10-8-24/h2-6H,7-12H2,1H3,(H,24,25,28);2*2-6,13,15H,7-12H2,1H3,(H,22,23,26)/t;13-,15+;13-,15-/m.11/s1.
What are the key properties of cis-(1S,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-1-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-1-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 1372.69 g/mol, XLogP of 7.24, 15 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-1-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 167586403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).