3-methyl-5-(methylamino)-N-[(1R,3S)-3-methylcyclohexyl]-1,2-thiazole-4-carboxamide

C13H21N3OS — CID 95124249

IUPAC3-methyl-5-(methylamino)-N-[(1R,3S)-3-methylcyclohexyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)N[C@@H]1CCC[C@H](C)C1
InChIInChI=1S/C13H21N3OS/c1-8-5-4-6-10(7-8)15-12(17)11-9(2)16-18-13(11)14-3/h8,10,14H,4-7H2,1-3H3,(H,15,17)/t8-,10+/m0/s1
InChIKeySOTFICBXROYNAX-WCBMZHEXSA-N
MW267.40 g/mol
LogP2.80
Rot. Bonds3

About 3-methyl-5-(methylamino)-N-[(1R,3S)-3-methylcyclohexyl]-1,2-thiazole-4-carboxamide

3-methyl-5-(methylamino)-N-[(1R,3S)-3-methylcyclohexyl]-1,2-thiazole-4-carboxamide (PubChem CID 95124249) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-methyl-5-(methylamino)-N-[(1R,3S)-3-methylcyclohexyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(methylamino)-N-[(1R,3S)-3-methylcyclohexyl]-1,2-thiazole-4-carboxamide
PubChem CID95124249
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-methyl-5-(methylamino)-N-[(1R,3S)-3-methylcyclohexyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)N[C@@H]1CCC[C@H](C)C1
InChIInChI=1S/C13H21N3OS/c1-8-5-4-6-10(7-8)15-12(17)11-9(2)16-18-13(11)14-3/h8,10,14H,4-7H2,1-3H3,(H,15,17)/t8-,10+/m0/s1
InChIKeySOTFICBXROYNAX-WCBMZHEXSA-N
XLogP2.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(methylamino)-N-[(1R,3S)-3-methylcyclohexyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-5-(methylamino)-N-[(1R,3S)-3-methylcyclohexyl]-1,2-thiazole-4-carboxamide (CID 95124249) is 3-methyl-5-(methylamino)-N-[(1R,3S)-3-methylcyclohexyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-(methylamino)-N-[(1R,3S)-3-methylcyclohexyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-(methylamino)-N-[(1R,3S)-3-methylcyclohexyl]-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)N[C@@H]1CCC[C@H](C)C1.
What is the InChIKey of 3-methyl-5-(methylamino)-N-[(1R,3S)-3-methylcyclohexyl]-1,2-thiazole-4-carboxamide?
The InChIKey is SOTFICBXROYNAX-WCBMZHEXSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-8-5-4-6-10(7-8)15-12(17)11-9(2)16-18-13(11)14-3/h8,10,14H,4-7H2,1-3H3,(H,15,17)/t8-,10+/m0/s1.
What are the key properties of 3-methyl-5-(methylamino)-N-[(1R,3S)-3-methylcyclohexyl]-1,2-thiazole-4-carboxamide?
3-methyl-5-(methylamino)-N-[(1R,3S)-3-methylcyclohexyl]-1,2-thiazole-4-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylamino)-N-[(1R,3S)-3-methylcyclohexyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 95124249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).