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

C14H21NO2S — CID 116968773

IUPAC4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)c1csc(CC2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C14H21NO2S/c1-9(2)12-8-18-13(15-12)7-10-3-5-11(6-4-10)14(16)17/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyYWKDKTNLMOHUMO-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.70
Rot. Bonds4

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

4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 116968773) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID116968773
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)c1csc(CC2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C14H21NO2S/c1-9(2)12-8-18-13(15-12)7-10-3-5-11(6-4-10)14(16)17/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyYWKDKTNLMOHUMO-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 105464499
4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 172582162
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088128
2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol
CID 115088115
2-(bromomethyl)-4-propan-2-yl-1,3-thiazole
CID 22063597
(4-propan-2-yl-1,3-thiazol-2-yl)methanol
CID 10678505
2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-one
CID 70064429
2-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-1-ol
CID 115088116
2-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
CID 116965814
N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119897431
2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole
CID 22949810
2-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol
CID 115087963

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxylic acid (CID 116968773) is 4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxylic acid is CC(C)c1csc(CC2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is YWKDKTNLMOHUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-9(2)12-8-18-13(15-12)7-10-3-5-11(6-4-10)14(16)17/h8-11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxylic acid?
4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 267.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 116968773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).