(3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid

C15H15N3O3S — CID 118980355

IUPAC(3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid
SMILESO=C(Nc1ncc(-c2ccccc2)s1)[C@H]1CCN(C(=O)O)C1
InChIInChI=1S/C15H15N3O3S/c19-13(11-6-7-18(9-11)15(20)21)17-14-16-8-12(22-14)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H,20,21)(H,16,17,19)/t11-/m0/s1
InChIKeyNSOLXTWRJSDKCZ-NSHDSACASA-N
MW317.37 g/mol
LogP2.75
Rot. Bonds3

About (3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid

(3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 118980355) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is (3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID118980355
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name(3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid
SMILESO=C(Nc1ncc(-c2ccccc2)s1)[C@H]1CCN(C(=O)O)C1
InChIInChI=1S/C15H15N3O3S/c19-13(11-6-7-18(9-11)15(20)21)17-14-16-8-12(22-14)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H,20,21)(H,16,17,19)/t11-/m0/s1
InChIKeyNSOLXTWRJSDKCZ-NSHDSACASA-N
XLogP2.75
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 130377054
(3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide
CID 94153836
(3S)-1-ethynyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 155329438
N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 10125249
1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;molecular hydrogen
CID 178083926
tert-butyl (3S)-3-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 170987258
4-anilino-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86855015
1-cyano-N-[5-(3-cyanophenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 118980961
(3S)-1-ethynyl-N-[5-(4-ethynylphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 155644150
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 119720410
1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 167847958
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119720409

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid (CID 118980355) is (3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid is O=C(Nc1ncc(-c2ccccc2)s1)[C@H]1CCN(C(=O)O)C1.
What is the InChIKey of (3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is NSOLXTWRJSDKCZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N3O3S/c19-13(11-6-7-18(9-11)15(20)21)17-14-16-8-12(22-14)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H,20,21)(H,16,17,19)/t11-/m0/s1.
What are the key properties of (3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid?
(3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 317.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 118980355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).