(5R)-5-methyl-N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,4-thiazepane-4-carboxamide

C16H27N5OS — CID 129399870

IUPAC(5R)-5-methyl-N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,4-thiazepane-4-carboxamide
SMILESCC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCSCC[C@H]1C)CC2
InChIInChI=1S/C16H27N5OS/c1-11(2)15-18-14-5-4-13(10-21(14)19-15)17-16(22)20-7-9-23-8-6-12(20)3/h11-13H,4-10H2,1-3H3,(H,17,22)/t12-,13-/m1/s1
InChIKeyAYWPHWBCLWRYQT-CHWSQXEVSA-N
MW337.49 g/mol
LogP2.25
Rot. Bonds2

About (5R)-5-methyl-N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,4-thiazepane-4-carboxamide

(5R)-5-methyl-N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,4-thiazepane-4-carboxamide (PubChem CID 129399870) has the molecular formula C16H27N5OS and a molecular weight of 337.49 g/mol. Its IUPAC name is (5R)-5-methyl-N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,4-thiazepane-4-carboxamide.

Molecular Properties

Compound Name(5R)-5-methyl-N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,4-thiazepane-4-carboxamide
PubChem CID129399870
Molecular FormulaC16H27N5OS
Molecular Weight337.49 g/mol
Exact Mass337.19
IUPAC Name(5R)-5-methyl-N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,4-thiazepane-4-carboxamide
SMILESCC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCSCC[C@H]1C)CC2
InChIInChI=1S/C16H27N5OS/c1-11(2)15-18-14-5-4-13(10-21(14)19-15)17-16(22)20-7-9-23-8-6-12(20)3/h11-13H,4-10H2,1-3H3,(H,17,22)/t12-,13-/m1/s1
InChIKeyAYWPHWBCLWRYQT-CHWSQXEVSA-N
XLogP2.25
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-5-methyl-N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,4-thiazepane-4-carboxamide with MolForge

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Related Compounds

N-[4-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]cyclohexyl]acetamide
CID 99634698
1-(3-phenyl-1,2-thiazol-5-yl)-3-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99813531
3-ethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)triazole-4-carboxamide
CID 128519257
(5S)-5-methyl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,4-thiazepane-4-carboxamide
CID 100702160
1-cyclobutyl-2-ethyl-3-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 119154047
(3R)-3-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]oxolan-2-one
CID 95340427
2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 117154532
2-[[ethylamino-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110041145
5-(cyclopropylmethoxy)-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazine-2-carboxamide
CID 126812672
1-(2-ethylbutyl)-2-methyl-3-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine
CID 111995559
1-ethyl-2-(2-ethylbutyl)-3-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 111995592
N-[4-[(dimethylamino)methyl]cyclohexyl]-5-methyl-1,4-thiazepane-4-carboxamide
CID 91662621

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,4-thiazepane-4-carboxamide?
The IUPAC name of (5R)-5-methyl-N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,4-thiazepane-4-carboxamide (CID 129399870) is (5R)-5-methyl-N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,4-thiazepane-4-carboxamide.
What is the SMILES notation for (5R)-5-methyl-N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,4-thiazepane-4-carboxamide?
The canonical SMILES for (5R)-5-methyl-N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,4-thiazepane-4-carboxamide is CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCSCC[C@H]1C)CC2.
What is the InChIKey of (5R)-5-methyl-N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,4-thiazepane-4-carboxamide?
The InChIKey is AYWPHWBCLWRYQT-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H27N5OS/c1-11(2)15-18-14-5-4-13(10-21(14)19-15)17-16(22)20-7-9-23-8-6-12(20)3/h11-13H,4-10H2,1-3H3,(H,17,22)/t12-,13-/m1/s1.
What are the key properties of (5R)-5-methyl-N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,4-thiazepane-4-carboxamide?
(5R)-5-methyl-N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,4-thiazepane-4-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,4-thiazepane-4-carboxamide is sourced from PubChem (CID 129399870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).