2-(4-chlorophenyl)-4-methyl-5-prop-1-en-2-yl-1,3-thiazole

C13H12ClNS — CID 23723059

IUPAC2-(4-chlorophenyl)-4-methyl-5-prop-1-en-2-yl-1,3-thiazole
SMILESC=C(C)c1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C13H12ClNS/c1-8(2)12-9(3)15-13(16-12)10-4-6-11(14)7-5-10/h4-7H,1H2,2-3H3
InChIKeyXYCHWLCLYCVEFS-UHFFFAOYSA-N
MW249.77 g/mol
LogP4.81
Rot. Bonds2

About 2-(4-chlorophenyl)-4-methyl-5-prop-1-en-2-yl-1,3-thiazole

2-(4-chlorophenyl)-4-methyl-5-prop-1-en-2-yl-1,3-thiazole (PubChem CID 23723059) has the molecular formula C13H12ClNS and a molecular weight of 249.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methyl-5-prop-1-en-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methyl-5-prop-1-en-2-yl-1,3-thiazole
PubChem CID23723059
Molecular FormulaC13H12ClNS
Molecular Weight249.77 g/mol
Exact Mass249.04
IUPAC Name2-(4-chlorophenyl)-4-methyl-5-prop-1-en-2-yl-1,3-thiazole
SMILESC=C(C)c1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C13H12ClNS/c1-8(2)12-9(3)15-13(16-12)10-4-6-11(14)7-5-10/h4-7H,1H2,2-3H3
InChIKeyXYCHWLCLYCVEFS-UHFFFAOYSA-N
XLogP4.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.77
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methyl-5-prop-1-en-2-yl-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenyl)-4-methyl-5-prop-1-en-2-yl-1,3-thiazole (CID 23723059) is 2-(4-chlorophenyl)-4-methyl-5-prop-1-en-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methyl-5-prop-1-en-2-yl-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-methyl-5-prop-1-en-2-yl-1,3-thiazole is C=C(C)c1sc(-c2ccc(Cl)cc2)nc1C.
What is the InChIKey of 2-(4-chlorophenyl)-4-methyl-5-prop-1-en-2-yl-1,3-thiazole?
The InChIKey is XYCHWLCLYCVEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNS/c1-8(2)12-9(3)15-13(16-12)10-4-6-11(14)7-5-10/h4-7H,1H2,2-3H3.
What are the key properties of 2-(4-chlorophenyl)-4-methyl-5-prop-1-en-2-yl-1,3-thiazole?
2-(4-chlorophenyl)-4-methyl-5-prop-1-en-2-yl-1,3-thiazole has a molecular weight of 249.77 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-methyl-5-prop-1-en-2-yl-1,3-thiazole is sourced from PubChem (CID 23723059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).