2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole

C14H17NS2 — CID 106850212

IUPAC2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole
SMILESCCSc1ccc(-c2ncc(C(C)C)s2)cc1
InChIInChI=1S/C14H17NS2/c1-4-16-12-7-5-11(6-8-12)14-15-9-13(17-14)10(2)3/h5-10H,4H2,1-3H3
InChIKeyZZRYCBKFGJBVJV-UHFFFAOYSA-N
MW263.43 g/mol
LogP5.05
Rot. Bonds4

About 2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole

2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole (PubChem CID 106850212) has the molecular formula C14H17NS2 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole
PubChem CID106850212
Molecular FormulaC14H17NS2
Molecular Weight263.43 g/mol
Exact Mass263.08
IUPAC Name2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole
SMILESCCSc1ccc(-c2ncc(C(C)C)s2)cc1
InChIInChI=1S/C14H17NS2/c1-4-16-12-7-5-11(6-8-12)14-15-9-13(17-14)10(2)3/h5-10H,4H2,1-3H3
InChIKeyZZRYCBKFGJBVJV-UHFFFAOYSA-N
XLogP5.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.43
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole (CID 106850212) is 2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole is CCSc1ccc(-c2ncc(C(C)C)s2)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is ZZRYCBKFGJBVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS2/c1-4-16-12-7-5-11(6-8-12)14-15-9-13(17-14)10(2)3/h5-10H,4H2,1-3H3.
What are the key properties of 2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole?
2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 263.43 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 106850212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).