N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxo-4-[(3S)-3-phenylpyrrolidin-1-yl]butanamide

C19H23N3O2S — CID 92612678

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxo-4-[(3S)-3-phenylpyrrolidin-1-yl]butanamide
SMILESCc1nc(NC(=O)CCC(=O)N2CC[C@@H](c3ccccc3)C2)sc1C
InChIInChI=1S/C19H23N3O2S/c1-13-14(2)25-19(20-13)21-17(23)8-9-18(24)22-11-10-16(12-22)15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,20,21,23)/t16-/m1/s1
InChIKeyFTEVBDKKXNQZAL-MRXNPFEDSA-N
MW357.48 g/mol
LogP3.49
Rot. Bonds5

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxo-4-[(3S)-3-phenylpyrrolidin-1-yl]butanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxo-4-[(3S)-3-phenylpyrrolidin-1-yl]butanamide (PubChem CID 92612678) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxo-4-[(3S)-3-phenylpyrrolidin-1-yl]butanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxo-4-[(3S)-3-phenylpyrrolidin-1-yl]butanamide
PubChem CID92612678
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxo-4-[(3S)-3-phenylpyrrolidin-1-yl]butanamide
SMILESCc1nc(NC(=O)CCC(=O)N2CC[C@@H](c3ccccc3)C2)sc1C
InChIInChI=1S/C19H23N3O2S/c1-13-14(2)25-19(20-13)21-17(23)8-9-18(24)22-11-10-16(12-22)15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,20,21,23)/t16-/m1/s1
InChIKeyFTEVBDKKXNQZAL-MRXNPFEDSA-N
XLogP3.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxo-4-[(3S)-3-phenylpyrrolidin-1-yl]butanamide with MolForge

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Related Compounds

ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate
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4-methyl-2-morpholin-4-yl-5-[3-oxo-3-[(3S)-3-phenylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one
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CID 84563681
4-[(3aS,9aS)-3a,4-dimethyl-2,3,5,6,7,8,9,9a-octahydropyrrolo[3,2-b]azocin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxobutanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxo-4-[(3S)-3-phenylpyrrolidin-1-yl]butanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxo-4-[(3S)-3-phenylpyrrolidin-1-yl]butanamide (CID 92612678) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxo-4-[(3S)-3-phenylpyrrolidin-1-yl]butanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxo-4-[(3S)-3-phenylpyrrolidin-1-yl]butanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxo-4-[(3S)-3-phenylpyrrolidin-1-yl]butanamide is Cc1nc(NC(=O)CCC(=O)N2CC[C@@H](c3ccccc3)C2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxo-4-[(3S)-3-phenylpyrrolidin-1-yl]butanamide?
The InChIKey is FTEVBDKKXNQZAL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13-14(2)25-19(20-13)21-17(23)8-9-18(24)22-11-10-16(12-22)15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,20,21,23)/t16-/m1/s1.
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxo-4-[(3S)-3-phenylpyrrolidin-1-yl]butanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxo-4-[(3S)-3-phenylpyrrolidin-1-yl]butanamide has a molecular weight of 357.48 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxo-4-[(3S)-3-phenylpyrrolidin-1-yl]butanamide is sourced from PubChem (CID 92612678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).