4-(3,4,5-trimethylphenyl)-1,3-thiazole

C12H13NS — CID 174513001

IUPAC4-(3,4,5-trimethylphenyl)-1,3-thiazole
SMILESCc1cc(-c2cscn2)cc(C)c1C
InChIInChI=1S/C12H13NS/c1-8-4-11(5-9(2)10(8)3)12-6-14-7-13-12/h4-7H,1-3H3
InChIKeyMPEKOPBNCZGAAH-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.74
Rot. Bonds1

About 4-(3,4,5-trimethylphenyl)-1,3-thiazole

4-(3,4,5-trimethylphenyl)-1,3-thiazole (PubChem CID 174513001) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 4-(3,4,5-trimethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4,5-trimethylphenyl)-1,3-thiazole
PubChem CID174513001
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name4-(3,4,5-trimethylphenyl)-1,3-thiazole
SMILESCc1cc(-c2cscn2)cc(C)c1C
InChIInChI=1S/C12H13NS/c1-8-4-11(5-9(2)10(8)3)12-6-14-7-13-12/h4-7H,1-3H3
InChIKeyMPEKOPBNCZGAAH-UHFFFAOYSA-N
XLogP3.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trimethylphenyl)-1,3-thiazole?
The IUPAC name of 4-(3,4,5-trimethylphenyl)-1,3-thiazole (CID 174513001) is 4-(3,4,5-trimethylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(3,4,5-trimethylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(3,4,5-trimethylphenyl)-1,3-thiazole is Cc1cc(-c2cscn2)cc(C)c1C.
What is the InChIKey of 4-(3,4,5-trimethylphenyl)-1,3-thiazole?
The InChIKey is MPEKOPBNCZGAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-8-4-11(5-9(2)10(8)3)12-6-14-7-13-12/h4-7H,1-3H3.
What are the key properties of 4-(3,4,5-trimethylphenyl)-1,3-thiazole?
4-(3,4,5-trimethylphenyl)-1,3-thiazole has a molecular weight of 203.31 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 174513001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).