2-(4-methylsulfinylphenyl)-1,3-thiazole

C10H9NOS2 — CID 123855062

IUPAC2-(4-methylsulfinylphenyl)-1,3-thiazole
SMILESCS(=O)c1ccc(-c2nccs2)cc1
InChIInChI=1S/C10H9NOS2/c1-14(12)9-4-2-8(3-5-9)10-11-6-7-13-10/h2-7H,1H3
InChIKeyHRABJBURFUQXRG-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.55
Rot. Bonds2

About 2-(4-methylsulfinylphenyl)-1,3-thiazole

2-(4-methylsulfinylphenyl)-1,3-thiazole (PubChem CID 123855062) has the molecular formula C10H9NOS2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(4-methylsulfinylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methylsulfinylphenyl)-1,3-thiazole
PubChem CID123855062
Molecular FormulaC10H9NOS2
Molecular Weight223.32 g/mol
Exact Mass223.01
IUPAC Name2-(4-methylsulfinylphenyl)-1,3-thiazole
SMILESCS(=O)c1ccc(-c2nccs2)cc1
InChIInChI=1S/C10H9NOS2/c1-14(12)9-4-2-8(3-5-9)10-11-6-7-13-10/h2-7H,1H3
InChIKeyHRABJBURFUQXRG-UHFFFAOYSA-N
XLogP2.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
bis[4-(1,3-thiazol-2-yl)phenyl]methanone
CID 146425122
azane;4-(1,3-thiazol-2-yl)phenol
CID 175575077
ethane;1-iodo-4-methylbenzene;bis(2-(4-methylphenyl)-1,3-thiazole)
CID 143420197
N-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine
CID 18525747
bicyclo[4.1.0]hepta-1,3,5-trien-7-one;2-(4-fluorophenyl)-1,3-thiazole
CID 174768764
2-[(S)-methylsulfinyl]-1,3-thiazole
CID 134969319
(E)-2-(4-methylsulfinylphenyl)-3-(1,3-thiazol-2-yl)prop-2-enoic acid
CID 142933247
2-(4-prop-2-enylphenyl)-1,3-thiazole
CID 91383546
2-[4-(1,3-thiazol-2-yl)phenyl]butanoic acid
CID 174694618
[4-(1,3-thiazol-2-yl)phenoxy]boronic acid
CID 142729083
(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 54995648

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfinylphenyl)-1,3-thiazole?
The IUPAC name of 2-(4-methylsulfinylphenyl)-1,3-thiazole (CID 123855062) is 2-(4-methylsulfinylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-methylsulfinylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(4-methylsulfinylphenyl)-1,3-thiazole is CS(=O)c1ccc(-c2nccs2)cc1.
What is the InChIKey of 2-(4-methylsulfinylphenyl)-1,3-thiazole?
The InChIKey is HRABJBURFUQXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS2/c1-14(12)9-4-2-8(3-5-9)10-11-6-7-13-10/h2-7H,1H3.
What are the key properties of 2-(4-methylsulfinylphenyl)-1,3-thiazole?
2-(4-methylsulfinylphenyl)-1,3-thiazole has a molecular weight of 223.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfinylphenyl)-1,3-thiazole is sourced from PubChem (CID 123855062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).