2-cyclopropyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole

C20H19NOS2 — CID 118871457

IUPAC2-cyclopropyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole
SMILESCS(=O)C(c1ccccc1)(c1ccccc1)c1csc(C2CC2)n1
InChIInChI=1S/C20H19NOS2/c1-24(22)20(16-8-4-2-5-9-16,17-10-6-3-7-11-17)18-14-23-19(21-18)15-12-13-15/h2-11,14-15H,12-13H2,1H3
InChIKeyBXGWQYYWYKASGP-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.69
Rot. Bonds5

About 2-cyclopropyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole

2-cyclopropyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole (PubChem CID 118871457) has the molecular formula C20H19NOS2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-cyclopropyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopropyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole
PubChem CID118871457
Molecular FormulaC20H19NOS2
Molecular Weight353.51 g/mol
Exact Mass353.09
IUPAC Name2-cyclopropyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole
SMILESCS(=O)C(c1ccccc1)(c1ccccc1)c1csc(C2CC2)n1
InChIInChI=1S/C20H19NOS2/c1-24(22)20(16-8-4-2-5-9-16,17-10-6-3-7-11-17)18-14-23-19(21-18)15-12-13-15/h2-11,14-15H,12-13H2,1H3
InChIKeyBXGWQYYWYKASGP-UHFFFAOYSA-N
XLogP4.69
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole
CID 118871472
2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 116889189
2-[2-(4-methylcyclohexyl)-1,3-thiazol-4-yl]propan-2-ol
CID 121449499
(2-cyclopropyl-1,3-thiazol-4-yl)boronic acid
CID 146160593
4-(1,1-difluoroethyl)-2-piperidin-4-yl-1,3-thiazole
CID 84795509
3-hydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one
CID 110025197
2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanenitrile
CID 116890193
2-[[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]benzonitrile
CID 3339669
methyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanoate
CID 116890141
cis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 160876170
3-(2-cyclopentyl-1,3-thiazol-4-yl)-3-methylbutan-1-amine
CID 116888466
tert-butyl 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoate
CID 4996955

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole?
The IUPAC name of 2-cyclopropyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole (CID 118871457) is 2-cyclopropyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-cyclopropyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole?
The canonical SMILES for 2-cyclopropyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole is CS(=O)C(c1ccccc1)(c1ccccc1)c1csc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole?
The InChIKey is BXGWQYYWYKASGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOS2/c1-24(22)20(16-8-4-2-5-9-16,17-10-6-3-7-11-17)18-14-23-19(21-18)15-12-13-15/h2-11,14-15H,12-13H2,1H3.
What are the key properties of 2-cyclopropyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole?
2-cyclopropyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole has a molecular weight of 353.51 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 118871457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).