methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

C20H24N4O5S2 — CID 16861864

IUPACmethyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCOC(=O)N1CCc2nc(NC(=O)C3CCCN(S(=O)(=O)c4ccccc4)C3)sc2C1
InChIInChI=1S/C20H24N4O5S2/c1-29-20(26)23-11-9-16-17(13-23)30-19(21-16)22-18(25)14-6-5-10-24(12-14)31(27,28)15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-13H2,1H3,(H,21,22,25)
InChIKeyIDKAHUPXQMRXTC-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.31
Rot. Bonds4

About methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (PubChem CID 16861864) has the molecular formula C20H24N4O5S2 and a molecular weight of 464.57 g/mol. Its IUPAC name is methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
PubChem CID16861864
Molecular FormulaC20H24N4O5S2
Molecular Weight464.57 g/mol
Exact Mass464.12
IUPAC Namemethyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCOC(=O)N1CCc2nc(NC(=O)C3CCCN(S(=O)(=O)c4ccccc4)C3)sc2C1
InChIInChI=1S/C20H24N4O5S2/c1-29-20(26)23-11-9-16-17(13-23)30-19(21-16)22-18(25)14-6-5-10-24(12-14)31(27,28)15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-13H2,1H3,(H,21,22,25)
InChIKeyIDKAHUPXQMRXTC-UHFFFAOYSA-N
XLogP2.31
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate with MolForge

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16829109
N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclohexanecarboxamide
CID 50832310
6-O-ethyl 3-O-methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 16861698
N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide
CID 50832495
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
(3R)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51929683
1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 16861664
N-[5-(2-phenylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525591
N-[5-(1,3-benzothiazole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531213
1-(4-methoxyphenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 16829204
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 26841250
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828987

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The IUPAC name of methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (CID 16861864) is methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is COC(=O)N1CCc2nc(NC(=O)C3CCCN(S(=O)(=O)c4ccccc4)C3)sc2C1.
What is the InChIKey of methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The InChIKey is IDKAHUPXQMRXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S2/c1-29-20(26)23-11-9-16-17(13-23)30-19(21-16)22-18(25)14-6-5-10-24(12-14)31(27,28)15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-13H2,1H3,(H,21,22,25).
What are the key properties of methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate has a molecular weight of 464.57 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 16861864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).