2-chloro-4-(3-fluorophenyl)-5-methyl-1,3-thiazole

C10H7ClFNS — CID 67982213

IUPAC2-chloro-4-(3-fluorophenyl)-5-methyl-1,3-thiazole
SMILESCc1sc(Cl)nc1-c1cccc(F)c1
InChIInChI=1S/C10H7ClFNS/c1-6-9(13-10(11)14-6)7-3-2-4-8(12)5-7/h2-5H,1H3
InChIKeyXEPZDQSOFIPGKD-UHFFFAOYSA-N
MW227.69 g/mol
LogP3.91
Rot. Bonds1

About 2-chloro-4-(3-fluorophenyl)-5-methyl-1,3-thiazole

2-chloro-4-(3-fluorophenyl)-5-methyl-1,3-thiazole (PubChem CID 67982213) has the molecular formula C10H7ClFNS and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-4-(3-fluorophenyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-(3-fluorophenyl)-5-methyl-1,3-thiazole
PubChem CID67982213
Molecular FormulaC10H7ClFNS
Molecular Weight227.69 g/mol
Exact Mass227.00
IUPAC Name2-chloro-4-(3-fluorophenyl)-5-methyl-1,3-thiazole
SMILESCc1sc(Cl)nc1-c1cccc(F)c1
InChIInChI=1S/C10H7ClFNS/c1-6-9(13-10(11)14-6)7-3-2-4-8(12)5-7/h2-5H,1H3
InChIKeyXEPZDQSOFIPGKD-UHFFFAOYSA-N
XLogP3.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-4-phenyl-5-methylthiazole
CID 96129
2-Methyl-4-phenyl-1,3-thiazole
CID 584377
2-Thiazolamine, 5-ethyl-4-phenyl-
CID 147560
2-Methyl-4,5-diphenylthiazole
CID 77365
2-Chloro-4-phenylthiazole
CID 2761359
2-(Ethylthio)-4-phenylthiazole
CID 79206
4-(4-Fluorophenyl)-5-methyl-1,3-thiazol-2-amine
CID 1229841
2-Bromo-4-phenyl-1,3-thiazole
CID 9921106
Thiazole, triphenyl-
CID 1712256
4-(3,4-Difluorophenyl)-5-methyl-1,3-thiazol-2-amine
CID 674091
2-(4-Chlorophenyl)-5-isopropenyl-4-methyl-thiazole
CID 23723059
Dimethyl-[2-(5-methyl-4-phenyl-thiazol-2-ylsulfanyl)-ethyl]-amine
CID 44374298

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-fluorophenyl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-chloro-4-(3-fluorophenyl)-5-methyl-1,3-thiazole (CID 67982213) is 2-chloro-4-(3-fluorophenyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-(3-fluorophenyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-chloro-4-(3-fluorophenyl)-5-methyl-1,3-thiazole is Cc1sc(Cl)nc1-c1cccc(F)c1.
What is the InChIKey of 2-chloro-4-(3-fluorophenyl)-5-methyl-1,3-thiazole?
The InChIKey is XEPZDQSOFIPGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNS/c1-6-9(13-10(11)14-6)7-3-2-4-8(12)5-7/h2-5H,1H3.
What are the key properties of 2-chloro-4-(3-fluorophenyl)-5-methyl-1,3-thiazole?
2-chloro-4-(3-fluorophenyl)-5-methyl-1,3-thiazole has a molecular weight of 227.69 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-fluorophenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 67982213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).