4-(3-chlorophenyl)-2,5-dimethyl-1,3-thiazole;2,5-dimethyl-4-(4-methylphenyl)-1,3-thiazole;2,5-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole;4-(4-fluorophenyl)-2,5-dimethyl-1,3-thiazole;4-(3-methoxyphenyl)-2,5-dimethyl-1,3-thiazole

C58H56ClF4N5OS5 — CID 159759965

IUPAC4-(3-chlorophenyl)-2,5-dimethyl-1,3-thiazole;2,5-dimethyl-4-(4-methylphenyl)-1,3-thiazole;2,5-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole;4-(4-fluorophenyl)-2,5-dimethyl-1,3-thiazole;4-(3-methoxyphenyl)-2,5-dimethyl-1,3-thiazole

SMILESCOc1cccc(-c2nc(C)sc2C)c1.Cc1ccc(-c2nc(C)sc2C)cc1.Cc1nc(-c2ccc(F)cc2)c(C)s1.Cc1nc(-c2cccc(C(F)(F)F)c2)c(C)s1.Cc1nc(-c2cccc(Cl)c2)c(C)s1

InChIInChI=1S/C12H10F3NS.C12H13NOS.C12H13NS.C11H10ClNS.C11H10FNS/c1-7-11(16-8(2)17-7)9-4-3-5-10(6-9)12(13,14)15;1-8-12(13-9(2)15-8)10-5-4-6-11(7-10)14-3;1-8-4-6-11(7-5-8)12-9(2)14-10(3)13-12;1-7-11(13-8(2)14-7)9-4-3-5-10(12)6-9;1-7-11(13-8(2)14-7)9-3-5-10(12)6-4-9/h3-6H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;2*3-6H,1-2H3

InChIKeyNETCEBHMBLFNBG-UHFFFAOYSA-N

MW1110.90 g/mol

LogP19.26

Rot. Bonds6

About 4-(3-chlorophenyl)-2,5-dimethyl-1,3-thiazole;2,5-dimethyl-4-(4-methylphenyl)-1,3-thiazole;2,5-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole;4-(4-fluorophenyl)-2,5-dimethyl-1,3-thiazole;4-(3-methoxyphenyl)-2,5-dimethyl-1,3-thiazole

4-(3-chlorophenyl)-2,5-dimethyl-1,3-thiazole;2,5-dimethyl-4-(4-methylphenyl)-1,3-thiazole;2,5-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole;4-(4-fluorophenyl)-2,5-dimethyl-1,3-thiazole;4-(3-methoxyphenyl)-2,5-dimethyl-1,3-thiazole (PubChem CID 159759965) has the molecular formula C58H56ClF4N5OS5 and a molecular weight of 1110.90 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2,5-dimethyl-1,3-thiazole;2,5-dimethyl-4-(4-methylphenyl)-1,3-thiazole;2,5-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole;4-(4-fluorophenyl)-2,5-dimethyl-1,3-thiazole;4-(3-methoxyphenyl)-2,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name	4-(3-chlorophenyl)-2,5-dimethyl-1,3-thiazole;2,5-dimethyl-4-(4-methylphenyl)-1,3-thiazole;2,5-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole;4-(4-fluorophenyl)-2,5-dimethyl-1,3-thiazole;4-(3-methoxyphenyl)-2,5-dimethyl-1,3-thiazole
PubChem CID	159759965
Molecular Formula	C58H56ClF4N5OS5
Molecular Weight	1110.90 g/mol
Exact Mass	1109.27
IUPAC Name	4-(3-chlorophenyl)-2,5-dimethyl-1,3-thiazole;2,5-dimethyl-4-(4-methylphenyl)-1,3-thiazole;2,5-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole;4-(4-fluorophenyl)-2,5-dimethyl-1,3-thiazole;4-(3-methoxyphenyl)-2,5-dimethyl-1,3-thiazole
SMILES	COc1cccc(-c2nc(C)sc2C)c1.Cc1ccc(-c2nc(C)sc2C)cc1.Cc1nc(-c2ccc(F)cc2)c(C)s1.Cc1nc(-c2cccc(C(F)(F)F)c2)c(C)s1.Cc1nc(-c2cccc(Cl)c2)c(C)s1
InChI	InChI=1S/C12H10F3NS.C12H13NOS.C12H13NS.C11H10ClNS.C11H10FNS/c1-7-11(16-8(2)17-7)9-4-3-5-10(6-9)12(13,14)15;1-8-12(13-9(2)15-8)10-5-4-6-11(7-10)14-3;1-8-4-6-11(7-5-8)12-9(2)14-10(3)13-12;1-7-11(13-8(2)14-7)9-4-3-5-10(12)6-9;1-7-11(13-8(2)14-7)9-3-5-10(12)6-4-9/h3-6H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;2*3-6H,1-2H3
InChIKey	NETCEBHMBLFNBG-UHFFFAOYSA-N
XLogP	19.26
TPSA	73.68 Å²
H-Bond Donors
H-Bond Acceptors	11
Rotatable Bonds	6
Heavy Atoms	74
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1110.90
LogP ≤ 5	19.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2,5-dimethyl-1,3-thiazole;2,5-dimethyl-4-(4-methylphenyl)-1,3-thiazole;2,5-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole;4-(4-fluorophenyl)-2,5-dimethyl-1,3-thiazole;4-(3-methoxyphenyl)-2,5-dimethyl-1,3-thiazole?

The IUPAC name of 4-(3-chlorophenyl)-2,5-dimethyl-1,3-thiazole;2,5-dimethyl-4-(4-methylphenyl)-1,3-thiazole;2,5-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole;4-(4-fluorophenyl)-2,5-dimethyl-1,3-thiazole;4-(3-methoxyphenyl)-2,5-dimethyl-1,3-thiazole (CID 159759965) is 4-(3-chlorophenyl)-2,5-dimethyl-1,3-thiazole;2,5-dimethyl-4-(4-methylphenyl)-1,3-thiazole;2,5-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole;4-(4-fluorophenyl)-2,5-dimethyl-1,3-thiazole;4-(3-methoxyphenyl)-2,5-dimethyl-1,3-thiazole.

What is the SMILES notation for 4-(3-chlorophenyl)-2,5-dimethyl-1,3-thiazole;2,5-dimethyl-4-(4-methylphenyl)-1,3-thiazole;2,5-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole;4-(4-fluorophenyl)-2,5-dimethyl-1,3-thiazole;4-(3-methoxyphenyl)-2,5-dimethyl-1,3-thiazole?

The canonical SMILES for 4-(3-chlorophenyl)-2,5-dimethyl-1,3-thiazole;2,5-dimethyl-4-(4-methylphenyl)-1,3-thiazole;2,5-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole;4-(4-fluorophenyl)-2,5-dimethyl-1,3-thiazole;4-(3-methoxyphenyl)-2,5-dimethyl-1,3-thiazole is COc1cccc(-c2nc(C)sc2C)c1.Cc1ccc(-c2nc(C)sc2C)cc1.Cc1nc(-c2ccc(F)cc2)c(C)s1.Cc1nc(-c2cccc(C(F)(F)F)c2)c(C)s1.Cc1nc(-c2cccc(Cl)c2)c(C)s1.

What is the InChIKey of 4-(3-chlorophenyl)-2,5-dimethyl-1,3-thiazole;2,5-dimethyl-4-(4-methylphenyl)-1,3-thiazole;2,5-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole;4-(4-fluorophenyl)-2,5-dimethyl-1,3-thiazole;4-(3-methoxyphenyl)-2,5-dimethyl-1,3-thiazole?

The InChIKey is NETCEBHMBLFNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NS.C12H13NOS.C12H13NS.C11H10ClNS.C11H10FNS/c1-7-11(16-8(2)17-7)9-4-3-5-10(6-9)12(13,14)15;1-8-12(13-9(2)15-8)10-5-4-6-11(7-10)14-3;1-8-4-6-11(7-5-8)12-9(2)14-10(3)13-12;1-7-11(13-8(2)14-7)9-4-3-5-10(12)6-9;1-7-11(13-8(2)14-7)9-3-5-10(12)6-4-9/h3-6H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;2*3-6H,1-2H3.

What are the key properties of 4-(3-chlorophenyl)-2,5-dimethyl-1,3-thiazole;2,5-dimethyl-4-(4-methylphenyl)-1,3-thiazole;2,5-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole;4-(4-fluorophenyl)-2,5-dimethyl-1,3-thiazole;4-(3-methoxyphenyl)-2,5-dimethyl-1,3-thiazole?

Where does this data come from?

All data for 4-(3-chlorophenyl)-2,5-dimethyl-1,3-thiazole;2,5-dimethyl-4-(4-methylphenyl)-1,3-thiazole;2,5-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole;4-(4-fluorophenyl)-2,5-dimethyl-1,3-thiazole;4-(3-methoxyphenyl)-2,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 159759965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).