5-acetyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylic acid

C14H20N2O3S — CID 106697130

IUPAC5-acetyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(NCC2CCCCC2C)nc1C(=O)O
InChIInChI=1S/C14H20N2O3S/c1-8-5-3-4-6-10(8)7-15-14-16-11(13(18)19)12(20-14)9(2)17/h8,10H,3-7H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyCUQLQCISPUIYOM-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.28
Rot. Bonds5

About 5-acetyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylic acid

5-acetyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 106697130) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 5-acetyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID106697130
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name5-acetyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(NCC2CCCCC2C)nc1C(=O)O
InChIInChI=1S/C14H20N2O3S/c1-8-5-3-4-6-10(8)7-15-14-16-11(13(18)19)12(20-14)9(2)17/h8,10H,3-7H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyCUQLQCISPUIYOM-UHFFFAOYSA-N
XLogP3.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-2-[(2-methyloxolan-3-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 114106956
methyl 4-methyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate
CID 80570343
5-acetyl-2-(3-cyclopropylpropylamino)-1,3-thiazole-4-carboxylic acid
CID 106698141
5-acetyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid
CID 106697057
5-acetyl-2-(2-pyrrolidin-1-ylpropylamino)-1,3-thiazole-4-carboxylic acid
CID 106697934
2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423521
5-[(2-methylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 107420798
5-acetyl-2-(3,3,3-trifluoropropylamino)-1,3-thiazole-4-carboxylic acid
CID 106697562
5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylic acid
CID 106697979
5-acetyl-2-(2,4,4-trimethylpentan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 106697415
5-acetyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid
CID 106696786
methyl 2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate
CID 80571019

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylic acid (CID 106697130) is 5-acetyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylic acid is CC(=O)c1sc(NCC2CCCCC2C)nc1C(=O)O.
What is the InChIKey of 5-acetyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is CUQLQCISPUIYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-8-5-3-4-6-10(8)7-15-14-16-11(13(18)19)12(20-14)9(2)17/h8,10H,3-7H2,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 5-acetyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106697130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).