4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclohexane-1-carboxylic acid

C14H21NO2S — CID 116885604

IUPAC4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclohexane-1-carboxylic acid
SMILESCc1nc(C(C)C)sc1C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H21NO2S/c1-8(2)13-15-9(3)12(18-13)10-4-6-11(7-5-10)14(16)17/h8,10-11H,4-7H2,1-3H3,(H,16,17)
InChIKeyOBRYWRHWDBUWQH-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.93
Rot. Bonds3

About 4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclohexane-1-carboxylic acid

4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclohexane-1-carboxylic acid (PubChem CID 116885604) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclohexane-1-carboxylic acid
PubChem CID116885604
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclohexane-1-carboxylic acid
SMILESCc1nc(C(C)C)sc1C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H21NO2S/c1-8(2)13-15-9(3)12(18-13)10-4-6-11(7-5-10)14(16)17/h8,10-11H,4-7H2,1-3H3,(H,16,17)
InChIKeyOBRYWRHWDBUWQH-UHFFFAOYSA-N
XLogP3.93
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122023617
N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 71941859
5-(oxan-3-yl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510949
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79531995
4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226726
4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid
CID 65208967
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-amine
CID 83876157
4-[1-(1,3-benzothiazol-2-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 65054809
N-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55684410
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
N-(2,6-dioxopiperidin-3-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 146124021
2-amino-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone
CID 97178760

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclohexane-1-carboxylic acid (CID 116885604) is 4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclohexane-1-carboxylic acid is Cc1nc(C(C)C)sc1C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclohexane-1-carboxylic acid?
The InChIKey is OBRYWRHWDBUWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-8(2)13-15-9(3)12(18-13)10-4-6-11(7-5-10)14(16)17/h8,10-11H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclohexane-1-carboxylic acid?
4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclohexane-1-carboxylic acid has a molecular weight of 267.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 116885604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).