1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid

C14H20N2O3S — CID 43172588

IUPAC1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCc1nc(C)c(C(=O)NC2(C(=O)O)CCC(C)CC2)s1
InChIInChI=1S/C14H20N2O3S/c1-8-4-6-14(7-5-8,13(18)19)16-12(17)11-9(2)15-10(3)20-11/h8H,4-7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyDKUZCVUAQDDQQF-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.52
Rot. Bonds3

About 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid

1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 43172588) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
PubChem CID43172588
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCc1nc(C)c(C(=O)NC2(C(=O)O)CCC(C)CC2)s1
InChIInChI=1S/C14H20N2O3S/c1-8-4-6-14(7-5-8,13(18)19)16-12(17)11-9(2)15-10(3)20-11/h8H,4-7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyDKUZCVUAQDDQQF-UHFFFAOYSA-N
XLogP2.52
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 47240129
2-[(2-Butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 71915659
1-[(2-Butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 72048210
(2R)-3-cyclohexyl-2-[(4-methyl-2-piperidin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid;2,2,2-trifluoroacetic acid
CID 166274413
3-[4-[(4-Methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid;hydrobromide
CID 18969514
3-[4-[(4-Methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid
CID 18969515
1-[(4-Methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 24707971
4-({[(2,4-Dimethyl-1,3-thiazol-5-yl)carbonyl]amino}methyl)cyclohexanecarboxylic acid
CID 29127428
(2S,3R)-2-(2,4-dimethylthiazole-5-carboxamido)-3-methylpentanoic acid
CID 29131629
(S)-2-(2,4-dimethylthiazole-5-carboxamido)-4-methylpentanoic acid
CID 29135203
N-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]leucine
CID 43091777
1-[(4-Methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43162961

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid (CID 43172588) is 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid is Cc1nc(C)c(C(=O)NC2(C(=O)O)CCC(C)CC2)s1.
What is the InChIKey of 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is DKUZCVUAQDDQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-8-4-6-14(7-5-8,13(18)19)16-12(17)11-9(2)15-10(3)20-11/h8H,4-7H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid?
1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 43172588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).