(2S)-2-[4-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide

C19H23N3O3S — CID 10109895

IUPAC(2S)-2-[4-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)c1cnc(NC(=O)[C@@H](C)c2ccc(N3CC[C@H](O)C3=O)cc2)s1
InChIInChI=1S/C19H23N3O3S/c1-11(2)16-10-20-19(26-16)21-17(24)12(3)13-4-6-14(7-5-13)22-9-8-15(23)18(22)25/h4-7,10-12,15,23H,8-9H2,1-3H3,(H,20,21,24)/t12-,15-/m0/s1
InChIKeyMHEJOCCSLRJAPF-WFASDCNBSA-N
MW373.48 g/mol
LogP3.11
Rot. Bonds5

About (2S)-2-[4-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide

(2S)-2-[4-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 10109895) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (2S)-2-[4-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID10109895
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(2S)-2-[4-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)c1cnc(NC(=O)[C@@H](C)c2ccc(N3CC[C@H](O)C3=O)cc2)s1
InChIInChI=1S/C19H23N3O3S/c1-11(2)16-10-20-19(26-16)21-17(24)12(3)13-4-6-14(7-5-13)22-9-8-15(23)18(22)25/h4-7,10-12,15,23H,8-9H2,1-3H3,(H,20,21,24)/t12-,15-/m0/s1
InChIKeyMHEJOCCSLRJAPF-WFASDCNBSA-N
XLogP3.11
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[4-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]phenyl]pyridine-4-carboxamide
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2-acetamido-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
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1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[4-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide (CID 10109895) is (2S)-2-[4-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[4-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[4-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide is CC(C)c1cnc(NC(=O)[C@@H](C)c2ccc(N3CC[C@H](O)C3=O)cc2)s1.
What is the InChIKey of (2S)-2-[4-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is MHEJOCCSLRJAPF-WFASDCNBSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-11(2)16-10-20-19(26-16)21-17(24)12(3)13-4-6-14(7-5-13)22-9-8-15(23)18(22)25/h4-7,10-12,15,23H,8-9H2,1-3H3,(H,20,21,24)/t12-,15-/m0/s1.
What are the key properties of (2S)-2-[4-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide?
(2S)-2-[4-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 373.48 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 10109895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).