bis[4-(1,3-thiazol-2-yl)phenyl]methanone

C19H12N2OS2 — CID 146425122

IUPACbis[4-(1,3-thiazol-2-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nccs2)cc1)c1ccc(-c2nccs2)cc1
InChIInChI=1S/C19H12N2OS2/c22-17(13-1-5-15(6-2-13)18-20-9-11-23-18)14-3-7-16(8-4-14)19-21-10-12-24-19/h1-12H
InChIKeyYXLOCNQJEZDDJR-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.16
Rot. Bonds4

About bis[4-(1,3-thiazol-2-yl)phenyl]methanone

bis[4-(1,3-thiazol-2-yl)phenyl]methanone (PubChem CID 146425122) has the molecular formula C19H12N2OS2 and a molecular weight of 348.45 g/mol. Its IUPAC name is bis[4-(1,3-thiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Namebis[4-(1,3-thiazol-2-yl)phenyl]methanone
PubChem CID146425122
Molecular FormulaC19H12N2OS2
Molecular Weight348.45 g/mol
Exact Mass348.04
IUPAC Namebis[4-(1,3-thiazol-2-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nccs2)cc1)c1ccc(-c2nccs2)cc1
InChIInChI=1S/C19H12N2OS2/c22-17(13-1-5-15(6-2-13)18-20-9-11-23-18)14-3-7-16(8-4-14)19-21-10-12-24-19/h1-12H
InChIKeyYXLOCNQJEZDDJR-UHFFFAOYSA-N
XLogP5.16
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
azane;4-(1,3-thiazol-2-yl)phenol
CID 175575077
4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 60926943
N-butyl-4-(1,3-thiazol-2-yl)benzamide
CID 110690289
2-[4-(1,3-thiazol-2-yl)phenyl]butanoic acid
CID 174694618
2-[4-(1,3-thiazol-2-yl)pyridin-1-ium-1-yl]acetic acid
CID 154673712
N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)benzamide
CID 110690313
2-(4-methylsulfinylphenyl)-1,3-thiazole
CID 123855062
[4-(1,3-thiazol-2-yl)phenoxy]boronic acid
CID 142729083
5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 114014790
(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 54995648
4-[4-(1,3-thiazol-2-yl)phenyl]butan-1-ol
CID 151644612

Frequently Asked Questions

What is the IUPAC name of bis[4-(1,3-thiazol-2-yl)phenyl]methanone?
The IUPAC name of bis[4-(1,3-thiazol-2-yl)phenyl]methanone (CID 146425122) is bis[4-(1,3-thiazol-2-yl)phenyl]methanone.
What is the SMILES notation for bis[4-(1,3-thiazol-2-yl)phenyl]methanone?
The canonical SMILES for bis[4-(1,3-thiazol-2-yl)phenyl]methanone is O=C(c1ccc(-c2nccs2)cc1)c1ccc(-c2nccs2)cc1.
What is the InChIKey of bis[4-(1,3-thiazol-2-yl)phenyl]methanone?
The InChIKey is YXLOCNQJEZDDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2OS2/c22-17(13-1-5-15(6-2-13)18-20-9-11-23-18)14-3-7-16(8-4-14)19-21-10-12-24-19/h1-12H.
What are the key properties of bis[4-(1,3-thiazol-2-yl)phenyl]methanone?
bis[4-(1,3-thiazol-2-yl)phenyl]methanone has a molecular weight of 348.45 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(1,3-thiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 146425122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).