N-[(1R,2R,5S)-5-(dimethylcarbamoyl)-2-(methylideneamino)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C18H27N5O2S — CID 163491295

IUPACN-[(1R,2R,5S)-5-(dimethylcarbamoyl)-2-(methylideneamino)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESC=N[C@@H]1CC[C@H](C(=O)N(C)C)C[C@H]1NC(=O)c1nc2c(s1)CN(C)CC2
InChIInChI=1S/C18H27N5O2S/c1-19-12-6-5-11(18(25)22(2)3)9-14(12)20-16(24)17-21-13-7-8-23(4)10-15(13)26-17/h11-12,14H,1,5-10H2,2-4H3,(H,20,24)/t11-,12+,14+/m0/s1
InChIKeyCMVYPEXDKJZBKR-OUCADQQQSA-N
MW377.51 g/mol
LogP1.19
Rot. Bonds4

About N-[(1R,2R,5S)-5-(dimethylcarbamoyl)-2-(methylideneamino)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[(1R,2R,5S)-5-(dimethylcarbamoyl)-2-(methylideneamino)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 163491295) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[(1R,2R,5S)-5-(dimethylcarbamoyl)-2-(methylideneamino)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,5S)-5-(dimethylcarbamoyl)-2-(methylideneamino)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID163491295
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC NameN-[(1R,2R,5S)-5-(dimethylcarbamoyl)-2-(methylideneamino)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESC=N[C@@H]1CC[C@H](C(=O)N(C)C)C[C@H]1NC(=O)c1nc2c(s1)CN(C)CC2
InChIInChI=1S/C18H27N5O2S/c1-19-12-6-5-11(18(25)22(2)3)9-14(12)20-16(24)17-21-13-7-8-23(4)10-15(13)26-17/h11-12,14H,1,5-10H2,2-4H3,(H,20,24)/t11-,12+,14+/m0/s1
InChIKeyCMVYPEXDKJZBKR-OUCADQQQSA-N
XLogP1.19
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2S,5S)-2-benzamido-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 173121522
N-[(1R,2S,5S)-2-[(4-chlorophenyl)iminocarbamoylamino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 59676851
5-chloro-N-[(2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]-1H-indole-2-carboximidate
CID 163452300
N-[(1R,2S,5S)-2-[[1-amino-2-[(5-chloro-2-pyridinyl)amino]-2-sulfanylideneethylidene]amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 163935956
N-[(1R,2S,5S)-2-[3-(4-chlorophenyl)prop-2-enoylamino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66966774
N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 67056636
N-[(1R)-2-[(4-chloroanilino)carbamoylamino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 70662054
N'-(4-chlorophenyl)-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]propanediamide;hydrochloride
CID 67056746
N-[5-(dimethylcarbamoyl)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 75041215
N-[(1R,2S,5S)-2-[[3-(4-chlorophenyl)-2-fluoroprop-2-enoyl]amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66967275
N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carbonyl)amino]cyclohexyl]oxamide;hydrochloride
CID 162337713
5-chloro-2-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]-3-N,3-N-dimethyl-1H-indole-2,3-dicarboxamide
CID 16660962

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,5S)-5-(dimethylcarbamoyl)-2-(methylideneamino)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[(1R,2R,5S)-5-(dimethylcarbamoyl)-2-(methylideneamino)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 163491295) is N-[(1R,2R,5S)-5-(dimethylcarbamoyl)-2-(methylideneamino)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,2R,5S)-5-(dimethylcarbamoyl)-2-(methylideneamino)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R,2R,5S)-5-(dimethylcarbamoyl)-2-(methylideneamino)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is C=N[C@@H]1CC[C@H](C(=O)N(C)C)C[C@H]1NC(=O)c1nc2c(s1)CN(C)CC2.
What is the InChIKey of N-[(1R,2R,5S)-5-(dimethylcarbamoyl)-2-(methylideneamino)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is CMVYPEXDKJZBKR-OUCADQQQSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-19-12-6-5-11(18(25)22(2)3)9-14(12)20-16(24)17-21-13-7-8-23(4)10-15(13)26-17/h11-12,14H,1,5-10H2,2-4H3,(H,20,24)/t11-,12+,14+/m0/s1.
What are the key properties of N-[(1R,2R,5S)-5-(dimethylcarbamoyl)-2-(methylideneamino)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[(1R,2R,5S)-5-(dimethylcarbamoyl)-2-(methylideneamino)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,5S)-5-(dimethylcarbamoyl)-2-(methylideneamino)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 163491295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).