2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid

C12H16N2O3S — CID 114114472

IUPAC2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)C1(CNC(=O)c2nc(C(=O)O)cs2)CC1
InChIInChI=1S/C12H16N2O3S/c1-7(2)12(3-4-12)6-13-9(15)10-14-8(5-18-10)11(16)17/h5,7H,3-4,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyQFQLHQJNCUKZDF-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.01
Rot. Bonds5

About 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid

2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 114114472) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID114114472
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)C1(CNC(=O)c2nc(C(=O)O)cs2)CC1
InChIInChI=1S/C12H16N2O3S/c1-7(2)12(3-4-12)6-13-9(15)10-14-8(5-18-10)11(16)17/h5,7H,3-4,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyQFQLHQJNCUKZDF-UHFFFAOYSA-N
XLogP2.01
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(dimethylamino)cyclobutyl]methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 105419989
2-(2-pyrrolidin-1-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697328
2-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697479
2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697408
2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696716
2-[3-(cyclopropylamino)propylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696775
2-[[(E)-pent-3-enyl]carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697444
2-(but-3-enylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697445
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697089
2-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696918
6-amino-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 119999178
2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 106303977

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid (CID 114114472) is 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid is CC(C)C1(CNC(=O)c2nc(C(=O)O)cs2)CC1.
What is the InChIKey of 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is QFQLHQJNCUKZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-7(2)12(3-4-12)6-13-9(15)10-14-8(5-18-10)11(16)17/h5,7H,3-4,6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 114114472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).