2-benzyl-4-[(3-methylphenyl)methylsulfinylmethyl]-1,3-thiazole

C19H19NOS2 — CID 71935057

IUPAC2-benzyl-4-[(3-methylphenyl)methylsulfinylmethyl]-1,3-thiazole
SMILESCc1cccc(CS(=O)Cc2csc(Cc3ccccc3)n2)c1
InChIInChI=1S/C19H19NOS2/c1-15-6-5-9-17(10-15)13-23(21)14-18-12-22-19(20-18)11-16-7-3-2-4-8-16/h2-10,12H,11,13-14H2,1H3
InChIKeyJJNRMMJZKXPIQB-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.49
Rot. Bonds6

About 2-benzyl-4-[(3-methylphenyl)methylsulfinylmethyl]-1,3-thiazole

2-benzyl-4-[(3-methylphenyl)methylsulfinylmethyl]-1,3-thiazole (PubChem CID 71935057) has the molecular formula C19H19NOS2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-benzyl-4-[(3-methylphenyl)methylsulfinylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-benzyl-4-[(3-methylphenyl)methylsulfinylmethyl]-1,3-thiazole
PubChem CID71935057
Molecular FormulaC19H19NOS2
Molecular Weight341.50 g/mol
Exact Mass341.09
IUPAC Name2-benzyl-4-[(3-methylphenyl)methylsulfinylmethyl]-1,3-thiazole
SMILESCc1cccc(CS(=O)Cc2csc(Cc3ccccc3)n2)c1
InChIInChI=1S/C19H19NOS2/c1-15-6-5-9-17(10-15)13-23(21)14-18-12-22-19(20-18)11-16-7-3-2-4-8-16/h2-10,12H,11,13-14H2,1H3
InChIKeyJJNRMMJZKXPIQB-UHFFFAOYSA-N
XLogP4.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-4-[[(R)-(3-methylphenyl)methylsulfinyl]methyl]-1,3-thiazole
CID 95064196
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide
CID 108737581
3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115089230
N-methyl-1-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-2-amine
CID 115089214
2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfanyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 38867895
(2-benzyl-1,3-thiazol-4-yl)methanethiol
CID 39099745
2-benzyl-4-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 43075355
2-benzyl-4-methyl-1,3-thiazole;ethane
CID 91344843
2-benzyl-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide
CID 60561856
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300
1-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-isocyano-6-(3-methylphenyl)-4-(trifluoromethyl)pyridin-2-one
CID 59099435
[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methanamine
CID 62596294

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[(3-methylphenyl)methylsulfinylmethyl]-1,3-thiazole?
The IUPAC name of 2-benzyl-4-[(3-methylphenyl)methylsulfinylmethyl]-1,3-thiazole (CID 71935057) is 2-benzyl-4-[(3-methylphenyl)methylsulfinylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-benzyl-4-[(3-methylphenyl)methylsulfinylmethyl]-1,3-thiazole?
The canonical SMILES for 2-benzyl-4-[(3-methylphenyl)methylsulfinylmethyl]-1,3-thiazole is Cc1cccc(CS(=O)Cc2csc(Cc3ccccc3)n2)c1.
What is the InChIKey of 2-benzyl-4-[(3-methylphenyl)methylsulfinylmethyl]-1,3-thiazole?
The InChIKey is JJNRMMJZKXPIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NOS2/c1-15-6-5-9-17(10-15)13-23(21)14-18-12-22-19(20-18)11-16-7-3-2-4-8-16/h2-10,12H,11,13-14H2,1H3.
What are the key properties of 2-benzyl-4-[(3-methylphenyl)methylsulfinylmethyl]-1,3-thiazole?
2-benzyl-4-[(3-methylphenyl)methylsulfinylmethyl]-1,3-thiazole has a molecular weight of 341.50 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[(3-methylphenyl)methylsulfinylmethyl]-1,3-thiazole is sourced from PubChem (CID 71935057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).