1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid

C14H21N3O3S — CID 106978315

IUPAC1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C14H21N3O3S/c1-4-6-14(11(18)19)7-5-8-17(14)13(20)16-12-15-9(2)10(3)21-12/h4-8H2,1-3H3,(H,18,19)(H,15,16,20)
InChIKeyHPEZOXHPLTWMAL-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.01
Rot. Bonds4

About 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid

1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978315) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978315
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C14H21N3O3S/c1-4-6-14(11(18)19)7-5-8-17(14)13(20)16-12-15-9(2)10(3)21-12/h4-8H2,1-3H3,(H,18,19)(H,15,16,20)
InChIKeyHPEZOXHPLTWMAL-UHFFFAOYSA-N
XLogP3.01
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-2-propylpyrrolidine-2-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

1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 107642686
1-[(5-methyl-3-pyridinyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 107586030
1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124108
1-[(1-methylcyclobutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978579
1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977361
1-(2,6-dimethylpyridine-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977067
1-[(3-methylthiophen-2-yl)methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978501
1-(5-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978436
1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978368
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-[2-(2-hydroxyphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106977237
1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782049

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106978315) is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)Nc1nc(C)c(C)s1.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is HPEZOXHPLTWMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-4-6-14(11(18)19)7-5-8-17(14)13(20)16-12-15-9(2)10(3)21-12/h4-8H2,1-3H3,(H,18,19)(H,15,16,20).
What are the key properties of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).