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

C11H11NS2 — CID 163560062

IUPAC4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole
SMILESCc1ccccc1SCc1cscn1
InChIInChI=1S/C11H11NS2/c1-9-4-2-3-5-11(9)14-7-10-6-13-8-12-10/h2-6,8H,7H2,1H3
InChIKeyFQMDITFNVMDGFX-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.74
Rot. Bonds3

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

4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole (PubChem CID 163560062) has the molecular formula C11H11NS2 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole
PubChem CID163560062
Molecular FormulaC11H11NS2
Molecular Weight221.35 g/mol
Exact Mass221.03
IUPAC Name4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole
SMILESCc1ccccc1SCc1cscn1
InChIInChI=1S/C11H11NS2/c1-9-4-2-3-5-11(9)14-7-10-6-13-8-12-10/h2-6,8H,7H2,1H3
InChIKeyFQMDITFNVMDGFX-UHFFFAOYSA-N
XLogP3.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole (CID 163560062) is 4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole is Cc1ccccc1SCc1cscn1.
What is the InChIKey of 4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is FQMDITFNVMDGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS2/c1-9-4-2-3-5-11(9)14-7-10-6-13-8-12-10/h2-6,8H,7H2,1H3.
What are the key properties of 4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole?
4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole has a molecular weight of 221.35 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 163560062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).