[2-(4-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]-thiophen-2-ylmethanone

C20H13ClN2OS2 — CID 4657490

IUPAC[2-(4-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)n1c(-c2ccccc2)cs/c1=N\c1ccc(Cl)cc1
InChIInChI=1S/C20H13ClN2OS2/c21-15-8-10-16(11-9-15)22-20-23(19(24)18-7-4-12-25-18)17(13-26-20)14-5-2-1-3-6-14/h1-13H/b22-20-
InChIKeyNBGJFFXDIYIQBM-XDOYNYLZSA-N
MW396.92 g/mol
LogP5.85
Rot. Bonds3

About [2-(4-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]-thiophen-2-ylmethanone

[2-(4-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]-thiophen-2-ylmethanone (PubChem CID 4657490) has the molecular formula C20H13ClN2OS2 and a molecular weight of 396.92 g/mol. Its IUPAC name is [2-(4-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]-thiophen-2-ylmethanone
PubChem CID4657490
Molecular FormulaC20H13ClN2OS2
Molecular Weight396.92 g/mol
Exact Mass396.02
IUPAC Name[2-(4-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)n1c(-c2ccccc2)cs/c1=N\c1ccc(Cl)cc1
InChIInChI=1S/C20H13ClN2OS2/c21-15-8-10-16(11-9-15)22-20-23(19(24)18-7-4-12-25-18)17(13-26-20)14-5-2-1-3-6-14/h1-13H/b22-20-
InChIKeyNBGJFFXDIYIQBM-XDOYNYLZSA-N
XLogP5.85
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.92
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-(4-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]-thiophen-2-ylmethanone (CID 4657490) is [2-(4-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-(4-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-(4-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)n1c(-c2ccccc2)cs/c1=N\c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]-thiophen-2-ylmethanone?
The InChIKey is NBGJFFXDIYIQBM-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H13ClN2OS2/c21-15-8-10-16(11-9-15)22-20-23(19(24)18-7-4-12-25-18)17(13-26-20)14-5-2-1-3-6-14/h1-13H/b22-20-.
What are the key properties of [2-(4-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]-thiophen-2-ylmethanone?
[2-(4-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]-thiophen-2-ylmethanone has a molecular weight of 396.92 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 4657490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).