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

C16H24N2O3S — CID 120674566

IUPAC4-[propan-2-yl-[2-(1,3-thiazol-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)N(CCc1nccs1)C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C16H24N2O3S/c1-11(2)18(9-7-14-17-8-10-22-14)15(19)12-3-5-13(6-4-12)16(20)21/h8,10-13H,3-7,9H2,1-2H3,(H,20,21)
InChIKeyXVQSMJIHMNVGQN-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.81
Rot. Bonds6

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

4-[propan-2-yl-[2-(1,3-thiazol-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120674566) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-[propan-2-yl-[2-(1,3-thiazol-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[propan-2-yl-[2-(1,3-thiazol-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120674566
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name4-[propan-2-yl-[2-(1,3-thiazol-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)N(CCc1nccs1)C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C16H24N2O3S/c1-11(2)18(9-7-14-17-8-10-22-14)15(19)12-3-5-13(6-4-12)16(20)21/h8,10-13H,3-7,9H2,1-2H3,(H,20,21)
InChIKeyXVQSMJIHMNVGQN-UHFFFAOYSA-N
XLogP2.81
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide
CID 110715819
cis-(1S,3R)-3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092307
N-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide
CID 42780816
3-hydroxy-4-nitro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 84595268
1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one
CID 79824416
4-[propan-2-yl-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]amino]butanoic acid
CID 63241082
3-N-propan-2-yl-1-N-propyl-3-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-dicarboxamide
CID 75388517
N-propan-2-yl-2-(prop-2-enoylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 166420609
1-(1,3-thiazol-2-ylmethylsulfamoyl)piperidine-4-carboxylic acid
CID 61283284
3-methoxy-4-[[propan-2-yl-[2-(1,3-thiazol-2-yl)ethyl]amino]methyl]benzoic acid
CID 154763099
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110742655
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
CID 132972140

Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl-[2-(1,3-thiazol-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[propan-2-yl-[2-(1,3-thiazol-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120674566) is 4-[propan-2-yl-[2-(1,3-thiazol-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[propan-2-yl-[2-(1,3-thiazol-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[propan-2-yl-[2-(1,3-thiazol-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid is CC(C)N(CCc1nccs1)C(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[propan-2-yl-[2-(1,3-thiazol-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is XVQSMJIHMNVGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-11(2)18(9-7-14-17-8-10-22-14)15(19)12-3-5-13(6-4-12)16(20)21/h8,10-13H,3-7,9H2,1-2H3,(H,20,21).
What are the key properties of 4-[propan-2-yl-[2-(1,3-thiazol-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[propan-2-yl-[2-(1,3-thiazol-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 324.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl-[2-(1,3-thiazol-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120674566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).