3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-1,2-dihydropyrrol-5-one

C14H13N3OS — CID 125433089

IUPAC3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-1,2-dihydropyrrol-5-one
SMILESCc1nc(-c2cccc(NC3=CC(=O)NC3)c2)cs1
InChIInChI=1S/C14H13N3OS/c1-9-16-13(8-19-9)10-3-2-4-11(5-10)17-12-6-14(18)15-7-12/h2-6,8,17H,7H2,1H3,(H,15,18)
InChIKeyOUZWBSYUGFZBCR-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.54
Rot. Bonds3

About 3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-1,2-dihydropyrrol-5-one

3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-1,2-dihydropyrrol-5-one (PubChem CID 125433089) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-1,2-dihydropyrrol-5-one
PubChem CID125433089
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-1,2-dihydropyrrol-5-one
SMILESCc1nc(-c2cccc(NC3=CC(=O)NC3)c2)cs1
InChIInChI=1S/C14H13N3OS/c1-9-16-13(8-19-9)10-3-2-4-11(5-10)17-12-6-14(18)15-7-12/h2-6,8,17H,7H2,1H3,(H,15,18)
InChIKeyOUZWBSYUGFZBCR-UHFFFAOYSA-N
XLogP2.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-1,2-dihydropyrrol-5-one (CID 125433089) is 3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-1,2-dihydropyrrol-5-one is Cc1nc(-c2cccc(NC3=CC(=O)NC3)c2)cs1.
What is the InChIKey of 3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-1,2-dihydropyrrol-5-one?
The InChIKey is OUZWBSYUGFZBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-16-13(8-19-9)10-3-2-4-11(5-10)17-12-6-14(18)15-7-12/h2-6,8,17H,7H2,1H3,(H,15,18).
What are the key properties of 3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-1,2-dihydropyrrol-5-one?
3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-1,2-dihydropyrrol-5-one has a molecular weight of 271.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 125433089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).