4-(benzhydrylsulfinylmethyl)-2-chloro-1,3-thiazole

C17H14ClNOS2 — CID 155512328

IUPAC4-(benzhydrylsulfinylmethyl)-2-chloro-1,3-thiazole
SMILESO=S(Cc1csc(Cl)n1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14ClNOS2/c18-17-19-15(11-21-17)12-22(20)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,16H,12H2
InChIKeyAKVJDHOJAURDMF-UHFFFAOYSA-N
MW347.89 g/mol
LogP4.83
Rot. Bonds5

About 4-(benzhydrylsulfinylmethyl)-2-chloro-1,3-thiazole

4-(benzhydrylsulfinylmethyl)-2-chloro-1,3-thiazole (PubChem CID 155512328) has the molecular formula C17H14ClNOS2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 4-(benzhydrylsulfinylmethyl)-2-chloro-1,3-thiazole.

Molecular Properties

Compound Name4-(benzhydrylsulfinylmethyl)-2-chloro-1,3-thiazole
PubChem CID155512328
Molecular FormulaC17H14ClNOS2
Molecular Weight347.89 g/mol
Exact Mass347.02
IUPAC Name4-(benzhydrylsulfinylmethyl)-2-chloro-1,3-thiazole
SMILESO=S(Cc1csc(Cl)n1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14ClNOS2/c18-17-19-15(11-21-17)12-22(20)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,16H,12H2
InChIKeyAKVJDHOJAURDMF-UHFFFAOYSA-N
XLogP4.83
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzhydrylsulfinylmethyl)-2-chloro-1,3-thiazole?
The IUPAC name of 4-(benzhydrylsulfinylmethyl)-2-chloro-1,3-thiazole (CID 155512328) is 4-(benzhydrylsulfinylmethyl)-2-chloro-1,3-thiazole.
What is the SMILES notation for 4-(benzhydrylsulfinylmethyl)-2-chloro-1,3-thiazole?
The canonical SMILES for 4-(benzhydrylsulfinylmethyl)-2-chloro-1,3-thiazole is O=S(Cc1csc(Cl)n1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(benzhydrylsulfinylmethyl)-2-chloro-1,3-thiazole?
The InChIKey is AKVJDHOJAURDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNOS2/c18-17-19-15(11-21-17)12-22(20)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,16H,12H2.
What are the key properties of 4-(benzhydrylsulfinylmethyl)-2-chloro-1,3-thiazole?
4-(benzhydrylsulfinylmethyl)-2-chloro-1,3-thiazole has a molecular weight of 347.89 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzhydrylsulfinylmethyl)-2-chloro-1,3-thiazole is sourced from PubChem (CID 155512328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).