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

C13H15NS2 — CID 146205158

IUPAC4-ethyl-2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazole
SMILESCCc1csc(SCc2ccc(C)cc2)n1
InChIInChI=1S/C13H15NS2/c1-3-12-9-16-13(14-12)15-8-11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3
InChIKeyNKFWQLFRTDEGDZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.31
Rot. Bonds4

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

4-ethyl-2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazole (PubChem CID 146205158) has the molecular formula C13H15NS2 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-ethyl-2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazole
PubChem CID146205158
Molecular FormulaC13H15NS2
Molecular Weight249.40 g/mol
Exact Mass249.06
IUPAC Name4-ethyl-2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazole
SMILESCCc1csc(SCc2ccc(C)cc2)n1
InChIInChI=1S/C13H15NS2/c1-3-12-9-16-13(14-12)15-8-11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3
InChIKeyNKFWQLFRTDEGDZ-UHFFFAOYSA-N
XLogP4.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazole?
The IUPAC name of 4-ethyl-2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazole (CID 146205158) is 4-ethyl-2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazole is CCc1csc(SCc2ccc(C)cc2)n1.
What is the InChIKey of 4-ethyl-2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazole?
The InChIKey is NKFWQLFRTDEGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS2/c1-3-12-9-16-13(14-12)15-8-11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 4-ethyl-2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazole?
4-ethyl-2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazole has a molecular weight of 249.40 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazole is sourced from PubChem (CID 146205158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).