1-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid

C16H24N2O3S — CID 119113815

IUPAC1-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nc(C(C)(C)C)sc1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C16H24N2O3S/c1-10-11(22-13(17-10)15(2,3)4)12(19)18-16(14(20)21)8-6-5-7-9-16/h5-9H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyVDKDSNDFYOPHSN-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.27
Rot. Bonds3

About 1-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 119113815) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID119113815
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nc(C(C)(C)C)sc1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C16H24N2O3S/c1-10-11(22-13(17-10)15(2,3)4)12(19)18-16(14(20)21)8-6-5-7-9-16/h5-9H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyVDKDSNDFYOPHSN-UHFFFAOYSA-N
XLogP3.27
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176594
1-[(4-tert-butylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 65206264
1-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 56799138
1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341636
1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119176691
2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502
1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341633
1-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65451578
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)cyclobutane-1-carboxylic acid
CID 116887002
methyl 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)cyclobutane-1-carboxylate
CID 116887033
N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 49016384
4-tert-butyl-N-(1-carbamothioylcyclohexyl)thiadiazole-5-carboxamide
CID 65205073

Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 119113815) is 1-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1nc(C(C)(C)C)sc1C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VDKDSNDFYOPHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-10-11(22-13(17-10)15(2,3)4)12(19)18-16(14(20)21)8-6-5-7-9-16/h5-9H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 1-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 324.45 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119113815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).