5-(4-methylcyclohexyl)-2-propyl-1,3-thiazole-4-carboxylic acid

C14H21NO2S — CID 106510848

IUPAC5-(4-methylcyclohexyl)-2-propyl-1,3-thiazole-4-carboxylic acid
SMILESCCCc1nc(C(=O)O)c(C2CCC(C)CC2)s1
InChIInChI=1S/C14H21NO2S/c1-3-4-11-15-12(14(16)17)13(18-11)10-7-5-9(2)6-8-10/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyUCZQCMIKHFDHAP-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.09
Rot. Bonds4

About 5-(4-methylcyclohexyl)-2-propyl-1,3-thiazole-4-carboxylic acid

5-(4-methylcyclohexyl)-2-propyl-1,3-thiazole-4-carboxylic acid (PubChem CID 106510848) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 5-(4-methylcyclohexyl)-2-propyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylcyclohexyl)-2-propyl-1,3-thiazole-4-carboxylic acid
PubChem CID106510848
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name5-(4-methylcyclohexyl)-2-propyl-1,3-thiazole-4-carboxylic acid
SMILESCCCc1nc(C(=O)O)c(C2CCC(C)CC2)s1
InChIInChI=1S/C14H21NO2S/c1-3-4-11-15-12(14(16)17)13(18-11)10-7-5-9(2)6-8-10/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyUCZQCMIKHFDHAP-UHFFFAOYSA-N
XLogP4.09
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-tert-butylcyclohexyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510773
4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226918
5-phenyl-2-propyl-1,3-thiazole-4-carboxylic acid
CID 64716441
5-(diethylaminomethyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 82069110
4-(4-butylcyclohexyl)-2-propyl-1,3-thiazole-5-carboxylic acid
CID 94970667
5-[(4-methylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole-4-carboxylic acid
CID 82069104
5-(4-bromothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510799
5-(piperazin-1-ylmethyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 82069176
5-(3,5-dimethylphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510860
2-butyl-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422683
5-(4-chlorothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510849
2-(cyclopropylmethyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422719

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylcyclohexyl)-2-propyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(4-methylcyclohexyl)-2-propyl-1,3-thiazole-4-carboxylic acid (CID 106510848) is 5-(4-methylcyclohexyl)-2-propyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-methylcyclohexyl)-2-propyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(4-methylcyclohexyl)-2-propyl-1,3-thiazole-4-carboxylic acid is CCCc1nc(C(=O)O)c(C2CCC(C)CC2)s1.
What is the InChIKey of 5-(4-methylcyclohexyl)-2-propyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is UCZQCMIKHFDHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-4-11-15-12(14(16)17)13(18-11)10-7-5-9(2)6-8-10/h9-10H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 5-(4-methylcyclohexyl)-2-propyl-1,3-thiazole-4-carboxylic acid?
5-(4-methylcyclohexyl)-2-propyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 267.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylcyclohexyl)-2-propyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).