5-chloro-3-(2,6-difluorophenyl)-1,2-thiazole

C9H4ClF2NS — CID 83911669

IUPAC5-chloro-3-(2,6-difluorophenyl)-1,2-thiazole
SMILESFc1cccc(F)c1-c1cc(Cl)sn1
InChIInChI=1S/C9H4ClF2NS/c10-8-4-7(13-14-8)9-5(11)2-1-3-6(9)12/h1-4H
InChIKeyNFNGUTCMUIRKFG-UHFFFAOYSA-N
MW231.65 g/mol
LogP3.74
Rot. Bonds1

About 5-chloro-3-(2,6-difluorophenyl)-1,2-thiazole

5-chloro-3-(2,6-difluorophenyl)-1,2-thiazole (PubChem CID 83911669) has the molecular formula C9H4ClF2NS and a molecular weight of 231.65 g/mol. Its IUPAC name is 5-chloro-3-(2,6-difluorophenyl)-1,2-thiazole.

Molecular Properties

Compound Name5-chloro-3-(2,6-difluorophenyl)-1,2-thiazole
PubChem CID83911669
Molecular FormulaC9H4ClF2NS
Molecular Weight231.65 g/mol
Exact Mass230.97
IUPAC Name5-chloro-3-(2,6-difluorophenyl)-1,2-thiazole
SMILESFc1cccc(F)c1-c1cc(Cl)sn1
InChIInChI=1S/C9H4ClF2NS/c10-8-4-7(13-14-8)9-5(11)2-1-3-6(9)12/h1-4H
InChIKeyNFNGUTCMUIRKFG-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 ≤ 500231.65
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2,6-difluorophenyl)-1,2-thiazole?
The IUPAC name of 5-chloro-3-(2,6-difluorophenyl)-1,2-thiazole (CID 83911669) is 5-chloro-3-(2,6-difluorophenyl)-1,2-thiazole.
What is the SMILES notation for 5-chloro-3-(2,6-difluorophenyl)-1,2-thiazole?
The canonical SMILES for 5-chloro-3-(2,6-difluorophenyl)-1,2-thiazole is Fc1cccc(F)c1-c1cc(Cl)sn1.
What is the InChIKey of 5-chloro-3-(2,6-difluorophenyl)-1,2-thiazole?
The InChIKey is NFNGUTCMUIRKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF2NS/c10-8-4-7(13-14-8)9-5(11)2-1-3-6(9)12/h1-4H.
What are the key properties of 5-chloro-3-(2,6-difluorophenyl)-1,2-thiazole?
5-chloro-3-(2,6-difluorophenyl)-1,2-thiazole has a molecular weight of 231.65 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 5-chloro-3-(2,6-difluorophenyl)-1,2-thiazole is sourced from PubChem (CID 83911669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).