2-(4-methylphenyl)sulfanyl-1,3-thiazole

C10H9NS2 — CID 18712779

IUPAC2-(4-methylphenyl)sulfanyl-1,3-thiazole
SMILESCc1ccc(Sc2nccs2)cc1
InChIInChI=1S/C10H9NS2/c1-8-2-4-9(5-3-8)13-10-11-6-7-12-10/h2-7H,1H3
InChIKeyRRBYIXOWAKAATA-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.60
Rot. Bonds2

About 2-(4-methylphenyl)sulfanyl-1,3-thiazole

2-(4-methylphenyl)sulfanyl-1,3-thiazole (PubChem CID 18712779) has the molecular formula C10H9NS2 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-1,3-thiazole
PubChem CID18712779
Molecular FormulaC10H9NS2
Molecular Weight207.32 g/mol
Exact Mass207.02
IUPAC Name2-(4-methylphenyl)sulfanyl-1,3-thiazole
SMILESCc1ccc(Sc2nccs2)cc1
InChIInChI=1S/C10H9NS2/c1-8-2-4-9(5-3-8)13-10-11-6-7-12-10/h2-7H,1H3
InChIKeyRRBYIXOWAKAATA-UHFFFAOYSA-N
XLogP3.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-1,3-thiazole?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-1,3-thiazole (CID 18712779) is 2-(4-methylphenyl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-1,3-thiazole?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-1,3-thiazole is Cc1ccc(Sc2nccs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-1,3-thiazole?
The InChIKey is RRBYIXOWAKAATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS2/c1-8-2-4-9(5-3-8)13-10-11-6-7-12-10/h2-7H,1H3.
What are the key properties of 2-(4-methylphenyl)sulfanyl-1,3-thiazole?
2-(4-methylphenyl)sulfanyl-1,3-thiazole has a molecular weight of 207.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 18712779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).