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

C15H8ClF2NS — CID 21409148

IUPAC2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole
SMILESFc1cccc(-c2nc(Cl)sc2-c2cccc(F)c2)c1
InChIInChI=1S/C15H8ClF2NS/c16-15-19-13(9-3-1-5-11(17)7-9)14(20-15)10-4-2-6-12(18)8-10/h1-8H
InChIKeyAYHVCNZTRTZPJQ-UHFFFAOYSA-N
MW307.75 g/mol
LogP5.41
Rot. Bonds2

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

2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole (PubChem CID 21409148) has the molecular formula C15H8ClF2NS and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole
PubChem CID21409148
Molecular FormulaC15H8ClF2NS
Molecular Weight307.75 g/mol
Exact Mass307.00
IUPAC Name2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole
SMILESFc1cccc(-c2nc(Cl)sc2-c2cccc(F)c2)c1
InChIInChI=1S/C15H8ClF2NS/c16-15-19-13(9-3-1-5-11(17)7-9)14(20-15)10-4-2-6-12(18)8-10/h1-8H
InChIKeyAYHVCNZTRTZPJQ-UHFFFAOYSA-N
XLogP5.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.75
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole
CID 21408778
2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 54307577
4-(3-fluorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole
CID 158996331
2-chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole
CID 13318779
2,3,5-tris(3-fluorophenyl)thiophene
CID 46314133
6-(bromomethyl)-3-chloro-2-(3-fluorophenyl)pyridine
CID 58443291
2,3-bis(3-fluorophenyl)quinoxaline
CID 5127743
[5-(3-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methanamine
CID 82106836
4-chloro-3-(3-fluorophenyl)-1,2-thiazol-5-amine
CID 83911404
5-chloro-4-(3-fluorophenyl)-1,2-oxazole
CID 84667900
5-chloro-3-(3-fluorophenyl)-1,2-oxazole-4-carbaldehyde
CID 75359372
2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 83535265

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole?
The IUPAC name of 2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole (CID 21409148) is 2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole is Fc1cccc(-c2nc(Cl)sc2-c2cccc(F)c2)c1.
What is the InChIKey of 2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole?
The InChIKey is AYHVCNZTRTZPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2NS/c16-15-19-13(9-3-1-5-11(17)7-9)14(20-15)10-4-2-6-12(18)8-10/h1-8H.
What are the key properties of 2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole?
2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole has a molecular weight of 307.75 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 21409148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).