(3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide

C15H16N4O2S — CID 94153836

IUPAC(3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)[C@@H]1CCN(C(=O)Nc2ncc(-c3ccccc3)s2)C1
InChIInChI=1S/C15H16N4O2S/c16-13(20)11-6-7-19(9-11)15(21)18-14-17-8-12(22-14)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H2,16,20)(H,17,18,21)/t11-/m1/s1
InChIKeyBZUIWFUHSMVJEU-LLVKDONJSA-N
MW316.39 g/mol
LogP2.15
Rot. Bonds3

About (3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide

(3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide (PubChem CID 94153836) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is (3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide
PubChem CID94153836
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name(3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)[C@@H]1CCN(C(=O)Nc2ncc(-c3ccccc3)s2)C1
InChIInChI=1S/C15H16N4O2S/c16-13(20)11-6-7-19(9-11)15(21)18-14-17-8-12(22-14)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H2,16,20)(H,17,18,21)/t11-/m1/s1
InChIKeyBZUIWFUHSMVJEU-LLVKDONJSA-N
XLogP2.15
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 118980355
4-anilino-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86855015
tert-butyl (3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 130377054
1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 56808851
N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 10125249
(2S)-N-(5-phenyl-1,3-thiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide
CID 100629837
(3S)-1-ethynyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 155329438
1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;molecular hydrogen
CID 178083926
4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 95784454
1-[(3S)-3-aminopiperidin-1-yl]-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 87823763
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 119720410
(3R)-1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 129468818

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide (CID 94153836) is (3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide is NC(=O)[C@@H]1CCN(C(=O)Nc2ncc(-c3ccccc3)s2)C1.
What is the InChIKey of (3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide?
The InChIKey is BZUIWFUHSMVJEU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N4O2S/c16-13(20)11-6-7-19(9-11)15(21)18-14-17-8-12(22-14)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H2,16,20)(H,17,18,21)/t11-/m1/s1.
What are the key properties of (3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide?
(3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide has a molecular weight of 316.39 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 94153836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).