(2R)-N-(5-chloro-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide

C11H14ClN3O2S — CID 96525370

IUPAC(2R)-N-(5-chloro-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC[C@H](C(=O)Nc1ncc(Cl)s1)N1CCCC1=O
InChIInChI=1S/C11H14ClN3O2S/c1-2-7(15-5-3-4-9(15)16)10(17)14-11-13-6-8(12)18-11/h6-7H,2-5H2,1H3,(H,13,14,17)/t7-/m1/s1
InChIKeyUOVLMJLOKUOLBD-SSDOTTSWSA-N
MW287.77 g/mol
LogP2.14
Rot. Bonds4

About (2R)-N-(5-chloro-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide

(2R)-N-(5-chloro-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 96525370) has the molecular formula C11H14ClN3O2S and a molecular weight of 287.77 g/mol. Its IUPAC name is (2R)-N-(5-chloro-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID96525370
Molecular FormulaC11H14ClN3O2S
Molecular Weight287.77 g/mol
Exact Mass287.05
IUPAC Name(2R)-N-(5-chloro-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC[C@H](C(=O)Nc1ncc(Cl)s1)N1CCCC1=O
InChIInChI=1S/C11H14ClN3O2S/c1-2-7(15-5-3-4-9(15)16)10(17)14-11-13-6-8(12)18-11/h6-7H,2-5H2,1H3,(H,13,14,17)/t7-/m1/s1
InChIKeyUOVLMJLOKUOLBD-SSDOTTSWSA-N
XLogP2.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952
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CID 97218671
N-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 71980567
(2S)-N-(3-chloro-4-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 97338133
(2S)-N-[3,5-dichloro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 97249288
2-(2-oxopyrrolidin-1-yl)-N-(5-pyridin-2-yl-2-pyridinyl)butanamide
CID 84594786
N-(2-chloro-4-methoxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 71867206
N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 71921698
methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate
CID 68788045
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
(2S)-N-[3-[(R)-methylsulfinyl]phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95943755
N-(2-methyl-1,3-benzoxazol-6-yl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 71991480

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of (2R)-N-(5-chloro-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide (CID 96525370) is (2R)-N-(5-chloro-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2R)-N-(5-chloro-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for (2R)-N-(5-chloro-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide is CC[C@H](C(=O)Nc1ncc(Cl)s1)N1CCCC1=O.
What is the InChIKey of (2R)-N-(5-chloro-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is UOVLMJLOKUOLBD-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14ClN3O2S/c1-2-7(15-5-3-4-9(15)16)10(17)14-11-13-6-8(12)18-11/h6-7H,2-5H2,1H3,(H,13,14,17)/t7-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide?
(2R)-N-(5-chloro-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 287.77 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 96525370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).