[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone

C15H16N2OS — CID 5151446

IUPAC[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(-c2ccc(C(=O)N3CCCC3)cc2)cs1
InChIInChI=1S/C15H16N2OS/c1-11-16-14(10-19-11)12-4-6-13(7-5-12)15(18)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3
InChIKeyPWKRWLDLIVJEEO-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.35
Rot. Bonds2

About [4-(2-methyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone

[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 5151446) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is [4-(2-methyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID5151446
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(-c2ccc(C(=O)N3CCCC3)cc2)cs1
InChIInChI=1S/C15H16N2OS/c1-11-16-14(10-19-11)12-4-6-13(7-5-12)15(18)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3
InChIKeyPWKRWLDLIVJEEO-UHFFFAOYSA-N
XLogP3.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(2-methyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone (CID 5151446) is [4-(2-methyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(2-methyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(2-methyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone is Cc1nc(-c2ccc(C(=O)N3CCCC3)cc2)cs1.
What is the InChIKey of [4-(2-methyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is PWKRWLDLIVJEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11-16-14(10-19-11)12-4-6-13(7-5-12)15(18)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of [4-(2-methyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone?
[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 272.37 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 5151446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).