N-[(1R,2R)-2-methylcyclohexyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide

C14H19N5OS — CID 40895198

IUPACN-[(1R,2R)-2-methylcyclohexyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CSc1nc2ncccn2n1
InChIInChI=1S/C14H19N5OS/c1-10-5-2-3-6-11(10)16-12(20)9-21-14-17-13-15-7-4-8-19(13)18-14/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,16,20)/t10-,11-/m1/s1
InChIKeyMSACYCABNQFDIE-GHMZBOCLSA-N
MW305.41 g/mol
LogP1.91
Rot. Bonds4

About N-[(1R,2R)-2-methylcyclohexyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide

N-[(1R,2R)-2-methylcyclohexyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide (PubChem CID 40895198) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
PubChem CID40895198
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CSc1nc2ncccn2n1
InChIInChI=1S/C14H19N5OS/c1-10-5-2-3-6-11(10)16-12(20)9-21-14-17-13-15-7-4-8-19(13)18-14/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,16,20)/t10-,11-/m1/s1
InChIKeyMSACYCABNQFDIE-GHMZBOCLSA-N
XLogP1.91
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R)-2-methylcyclohexyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide with MolForge

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Related Compounds

N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529252
N-(2-methylcyclohexyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 5151351
N-(1-adamantyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 17458846
N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide
CID 1276988
(2R)-N-cycloheptyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
CID 41354115
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2693147
N-[(1R,2S)-2-methylcyclohexyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2515024
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
CID 43301392
N-(2-methylcyclohexyl)-2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3718907
2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 43249246
N-[(1S,2R)-2-methylcyclohexyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860090
N-(3-phenylpropyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 37196826

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide (CID 40895198) is N-[(1R,2R)-2-methylcyclohexyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide is C[C@@H]1CCCC[C@H]1NC(=O)CSc1nc2ncccn2n1.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The InChIKey is MSACYCABNQFDIE-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-10-5-2-3-6-11(10)16-12(20)9-21-14-17-13-15-7-4-8-19(13)18-14/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,16,20)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
N-[(1R,2R)-2-methylcyclohexyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide has a molecular weight of 305.41 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclohexyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 40895198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).