[4-(4-methylphenyl)-1,3-thiazol-5-yl]-thiophen-3-ylmethanone

C15H11NOS2 — CID 164671498

IUPAC[4-(4-methylphenyl)-1,3-thiazol-5-yl]-thiophen-3-ylmethanone
SMILESCc1ccc(-c2ncsc2C(=O)c2ccsc2)cc1
InChIInChI=1S/C15H11NOS2/c1-10-2-4-11(5-3-10)13-15(19-9-16-13)14(17)12-6-7-18-8-12/h2-9H,1H3
InChIKeyMENFJXLZLNGENZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.41
Rot. Bonds3

About [4-(4-methylphenyl)-1,3-thiazol-5-yl]-thiophen-3-ylmethanone

[4-(4-methylphenyl)-1,3-thiazol-5-yl]-thiophen-3-ylmethanone (PubChem CID 164671498) has the molecular formula C15H11NOS2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [4-(4-methylphenyl)-1,3-thiazol-5-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)-1,3-thiazol-5-yl]-thiophen-3-ylmethanone
PubChem CID164671498
Molecular FormulaC15H11NOS2
Molecular Weight285.39 g/mol
Exact Mass285.03
IUPAC Name[4-(4-methylphenyl)-1,3-thiazol-5-yl]-thiophen-3-ylmethanone
SMILESCc1ccc(-c2ncsc2C(=O)c2ccsc2)cc1
InChIInChI=1S/C15H11NOS2/c1-10-2-4-11(5-3-10)13-15(19-9-16-13)14(17)12-6-7-18-8-12/h2-9H,1H3
InChIKeyMENFJXLZLNGENZ-UHFFFAOYSA-N
XLogP4.41
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)-1,3-thiazol-5-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(4-methylphenyl)-1,3-thiazol-5-yl]-thiophen-3-ylmethanone (CID 164671498) is [4-(4-methylphenyl)-1,3-thiazol-5-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(4-methylphenyl)-1,3-thiazol-5-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(4-methylphenyl)-1,3-thiazol-5-yl]-thiophen-3-ylmethanone is Cc1ccc(-c2ncsc2C(=O)c2ccsc2)cc1.
What is the InChIKey of [4-(4-methylphenyl)-1,3-thiazol-5-yl]-thiophen-3-ylmethanone?
The InChIKey is MENFJXLZLNGENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS2/c1-10-2-4-11(5-3-10)13-15(19-9-16-13)14(17)12-6-7-18-8-12/h2-9H,1H3.
What are the key properties of [4-(4-methylphenyl)-1,3-thiazol-5-yl]-thiophen-3-ylmethanone?
[4-(4-methylphenyl)-1,3-thiazol-5-yl]-thiophen-3-ylmethanone has a molecular weight of 285.39 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)-1,3-thiazol-5-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 164671498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).