4-(4-ethylphenyl)-2-methyl-1,3-thiazole

C12H13NS — CID 19240269

IUPAC4-(4-ethylphenyl)-2-methyl-1,3-thiazole
SMILESCCc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C12H13NS/c1-3-10-4-6-11(7-5-10)12-8-14-9(2)13-12/h4-8H,3H2,1-2H3
InChIKeyZKTBKDKASFMBIB-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.68
Rot. Bonds2

About 4-(4-ethylphenyl)-2-methyl-1,3-thiazole

4-(4-ethylphenyl)-2-methyl-1,3-thiazole (PubChem CID 19240269) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-ethylphenyl)-2-methyl-1,3-thiazole
PubChem CID19240269
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name4-(4-ethylphenyl)-2-methyl-1,3-thiazole
SMILESCCc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C12H13NS/c1-3-10-4-6-11(7-5-10)12-8-14-9(2)13-12/h4-8H,3H2,1-2H3
InChIKeyZKTBKDKASFMBIB-UHFFFAOYSA-N
XLogP3.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(4-ethylphenyl)-2-methyl-1,3-thiazole (CID 19240269) is 4-(4-ethylphenyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(4-ethylphenyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(4-ethylphenyl)-2-methyl-1,3-thiazole is CCc1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-2-methyl-1,3-thiazole?
The InChIKey is ZKTBKDKASFMBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-3-10-4-6-11(7-5-10)12-8-14-9(2)13-12/h4-8H,3H2,1-2H3.
What are the key properties of 4-(4-ethylphenyl)-2-methyl-1,3-thiazole?
4-(4-ethylphenyl)-2-methyl-1,3-thiazole has a molecular weight of 203.31 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 19240269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).