2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

C14H20N2O3S — CID 61479820

IUPAC2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)c1csc(NC(=O)C2CCCCC2C(=O)O)n1
InChIInChI=1S/C14H20N2O3S/c1-8(2)11-7-20-14(15-11)16-12(17)9-5-3-4-6-10(9)13(18)19/h7-10H,3-6H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyKPCCGGHBEPTRBG-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.10
Rot. Bonds4

About 2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 61479820) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID61479820
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)c1csc(NC(=O)C2CCCCC2C(=O)O)n1
InChIInChI=1S/C14H20N2O3S/c1-8(2)11-7-20-14(15-11)16-12(17)9-5-3-4-6-10(9)13(18)19/h7-10H,3-6H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyKPCCGGHBEPTRBG-UHFFFAOYSA-N
XLogP3.10
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 4551012
(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 61482477
N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 54958477
2-(cyclopentylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 54958579
trans-(1R,2R)-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 95706153
cis-(1S,2R)-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1000957
trans-(1S,2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1226249
cis-(1S,2R)-2-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 868773
methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 58913263
1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)azetidine-3-carboxamide
CID 73439343
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112806379
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 61482668

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 61479820) is 2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is CC(C)c1csc(NC(=O)C2CCCCC2C(=O)O)n1.
What is the InChIKey of 2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is KPCCGGHBEPTRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-8(2)11-7-20-14(15-11)16-12(17)9-5-3-4-6-10(9)13(18)19/h7-10H,3-6H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61479820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).