2-[2-Oxo-4-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide

C11H15N3O2S — CID 9943002

IUPAC2-[2-oxo-4-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide
SMILESCCC(C(=O)N)N1CC(CC1=O)C2=NC=CS2
InChIInChI=1S/C11H15N3O2S/c1-2-8(10(12)16)14-6-7(5-9(14)15)11-13-3-4-17-11/h3-4,7-8H,2,5-6H2,1H3,(H2,12,16)
InChIKeyDJSMBVDMRTYDPV-UHFFFAOYSA-N
MW253.32 g/mol
LogP0.10
Rot. Bonds4

About 2-[2-Oxo-4-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide

2-[2-Oxo-4-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide (PubChem CID 9943002) has the molecular formula C11H15N3O2S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[2-oxo-4-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[2-Oxo-4-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide
PubChem CID9943002
Molecular FormulaC11H15N3O2S
Molecular Weight253.32 g/mol
Exact Mass253.09
IUPAC Name2-[2-oxo-4-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide
SMILESCCC(C(=O)N)N1CC(CC1=O)C2=NC=CS2
InChIInChI=1S/C11H15N3O2S/c1-2-8(10(12)16)14-6-7(5-9(14)15)11-13-3-4-17-11/h3-4,7-8H,2,5-6H2,1H3,(H2,12,16)
InChIKeyDJSMBVDMRTYDPV-UHFFFAOYSA-N
XLogP0.10
TPSA105.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity324

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868950
2-[2-(1,3-Thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868956
N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 56911946
1-ethyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3-pyrrolidinecarboxamide
CID 49355878
1-(2-Oxo-2-pyrrolidin-1-ylethyl)-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 72006421
4-(acetylamino)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 86285742
5,5-dimethyl-3-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]imidazolidine-2,4-dione
CID 95901346
3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione
CID 95901370
(2S)-2-(2,2-dimethylpropanoylamino)-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 122151537
(5S)-1,5-dimethyl-3-[2-(1,3-thiazol-2-yl)propyl]imidazolidine-2,4-dione
CID 137956365
(2S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 164628606
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 137984511

Frequently Asked Questions

What is the IUPAC name of 2-[2-Oxo-4-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide?
The IUPAC name of 2-[2-Oxo-4-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide (CID 9943002) is 2-[2-oxo-4-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide.
What is the SMILES notation for 2-[2-Oxo-4-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide?
The canonical SMILES for 2-[2-Oxo-4-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide is CCC(C(=O)N)N1CC(CC1=O)C2=NC=CS2.
What is the InChIKey of 2-[2-Oxo-4-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide?
The InChIKey is DJSMBVDMRTYDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-2-8(10(12)16)14-6-7(5-9(14)15)11-13-3-4-17-11/h3-4,7-8H,2,5-6H2,1H3,(H2,12,16).
What are the key properties of 2-[2-Oxo-4-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide?
2-[2-Oxo-4-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide has a molecular weight of 253.32 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-Oxo-4-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide is sourced from PubChem (CID 9943002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).