4-(benzhydrylsulfinylmethyl)-2-thiophen-2-yl-1,3-thiazole

C21H17NOS3 — CID 155550602

IUPAC4-(benzhydrylsulfinylmethyl)-2-thiophen-2-yl-1,3-thiazole
SMILESO=S(Cc1csc(-c2cccs2)n1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NOS3/c23-26(15-18-14-25-21(22-18)19-12-7-13-24-19)20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,20H,15H2
InChIKeyLDQJQKBMDWDTEY-UHFFFAOYSA-N
MW395.57 g/mol
LogP5.91
Rot. Bonds6

About 4-(benzhydrylsulfinylmethyl)-2-thiophen-2-yl-1,3-thiazole

4-(benzhydrylsulfinylmethyl)-2-thiophen-2-yl-1,3-thiazole (PubChem CID 155550602) has the molecular formula C21H17NOS3 and a molecular weight of 395.57 g/mol. Its IUPAC name is 4-(benzhydrylsulfinylmethyl)-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(benzhydrylsulfinylmethyl)-2-thiophen-2-yl-1,3-thiazole
PubChem CID155550602
Molecular FormulaC21H17NOS3
Molecular Weight395.57 g/mol
Exact Mass395.05
IUPAC Name4-(benzhydrylsulfinylmethyl)-2-thiophen-2-yl-1,3-thiazole
SMILESO=S(Cc1csc(-c2cccs2)n1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NOS3/c23-26(15-18-14-25-21(22-18)19-12-7-13-24-19)20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,20H,15H2
InChIKeyLDQJQKBMDWDTEY-UHFFFAOYSA-N
XLogP5.91
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.57
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-4-phenyl-1,3-thiazole
CID 584377
2-Methyl-4-(4-methylphenyl)-1,3-thiazole
CID 667561
2-(Tert-butylsulfonylmethyl)-4-(3-fluorophenyl)-1,3-thiazole
CID 2742537
4-[4-(4-Phenyl-1,3-thiazol-2-yl)phenyl]-1,2,3-thiadiazole
CID 2815209
4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-thiophen-2-yl-thiazole
CID 10273329
5-Ethyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 10335742
5-Methyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 10424840
5-Methylsulfanyl-4-(4-o-tolyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18536877
5-Methylsulfanyl-4-(4-p-tolyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18536880
5-Methylsulfanyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18536889
5-Methylsulfanyl-4-(4-m-tolyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18537029
5-Methylsulfanyl-4-(2-phenyl-thiazol-4-yl)-thiophene-2-carboxamidine
CID 18537077

Frequently Asked Questions

What is the IUPAC name of 4-(benzhydrylsulfinylmethyl)-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 4-(benzhydrylsulfinylmethyl)-2-thiophen-2-yl-1,3-thiazole (CID 155550602) is 4-(benzhydrylsulfinylmethyl)-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(benzhydrylsulfinylmethyl)-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 4-(benzhydrylsulfinylmethyl)-2-thiophen-2-yl-1,3-thiazole is O=S(Cc1csc(-c2cccs2)n1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(benzhydrylsulfinylmethyl)-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is LDQJQKBMDWDTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NOS3/c23-26(15-18-14-25-21(22-18)19-12-7-13-24-19)20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,20H,15H2.
What are the key properties of 4-(benzhydrylsulfinylmethyl)-2-thiophen-2-yl-1,3-thiazole?
4-(benzhydrylsulfinylmethyl)-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 395.57 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzhydrylsulfinylmethyl)-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 155550602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).