4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid

C16H24N2O3S — CID 120673743

IUPAC4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(C(C)(C)NC(=O)C2CCC(C(=O)O)CC2)sc1C
InChIInChI=1S/C16H24N2O3S/c1-9-10(2)22-15(17-9)16(3,4)18-13(19)11-5-7-12(8-6-11)14(20)21/h11-12H,5-8H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyOZIHPKAZRYGYEV-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.00
Rot. Bonds4

About 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid

4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673743) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673743
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(C(C)(C)NC(=O)C2CCC(C(=O)O)CC2)sc1C
InChIInChI=1S/C16H24N2O3S/c1-9-10(2)22-15(17-9)16(3,4)18-13(19)11-5-7-12(8-6-11)14(20)21/h11-12H,5-8H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyOZIHPKAZRYGYEV-UHFFFAOYSA-N
XLogP3.00
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]cyclopentane-1-carboxamide
CID 119890065
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119890064
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide;dihydrochloride
CID 119890048
(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 124610218
2-cyclopent-2-en-1-yl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 56793632
4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]benzoic acid
CID 119185819
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride
CID 119890095
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylbutanamide;dihydrochloride
CID 120504074
2-cyclopropyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-1H-pyridine-4-carboxamide
CID 127903484
4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61465991
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-4-(methylamino)butanamide
CID 119890059
2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid
CID 116865676

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120673743) is 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid is Cc1nc(C(C)(C)NC(=O)C2CCC(C(=O)O)CC2)sc1C.
What is the InChIKey of 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is OZIHPKAZRYGYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-9-10(2)22-15(17-9)16(3,4)18-13(19)11-5-7-12(8-6-11)14(20)21/h11-12H,5-8H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 324.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).