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

C11H15N3O3S — CID 122085919

IUPAC1-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCc1csc(NC(=O)N2CCC(C(=O)O)C2)n1
InChIInChI=1S/C11H15N3O3S/c1-2-8-6-18-10(12-8)13-11(17)14-4-3-7(5-14)9(15)16/h6-7H,2-5H2,1H3,(H,15,16)(H,12,13,17)
InChIKeyLQHULLBVYMGADH-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.64
Rot. Bonds3

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

1-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122085919) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122085919
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name1-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCc1csc(NC(=O)N2CCC(C(=O)O)C2)n1
InChIInChI=1S/C11H15N3O3S/c1-2-8-6-18-10(12-8)13-11(17)14-4-3-7(5-14)9(15)16/h6-7H,2-5H2,1H3,(H,15,16)(H,12,13,17)
InChIKeyLQHULLBVYMGADH-UHFFFAOYSA-N
XLogP1.64
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 61480503
(3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118220
1-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074085
(3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81119979
4-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525743
1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 106262196
4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655746
4-N-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47194180
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119136733
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylpiperidine-1-carboxamide
CID 47200504
(3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 99618269
1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 33210791

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 122085919) is 1-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid is CCc1csc(NC(=O)N2CCC(C(=O)O)C2)n1.
What is the InChIKey of 1-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is LQHULLBVYMGADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-2-8-6-18-10(12-8)13-11(17)14-4-3-7(5-14)9(15)16/h6-7H,2-5H2,1H3,(H,15,16)(H,12,13,17).
What are the key properties of 1-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122085919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).