4-(2,5-dichlorothiophen-3-yl)-2-(2-fluorophenyl)-1,3-thiazole

C13H6Cl2FNS2 — CID 46855330

IUPAC4-(2,5-dichlorothiophen-3-yl)-2-(2-fluorophenyl)-1,3-thiazole
SMILESFc1ccccc1-c1nc(-c2cc(Cl)sc2Cl)cs1
InChIInChI=1S/C13H6Cl2FNS2/c14-11-5-8(12(15)19-11)10-6-18-13(17-10)7-3-1-2-4-9(7)16/h1-6H
InChIKeyXVGPSWKSWHIHGW-UHFFFAOYSA-N
MW330.24 g/mol
LogP5.98
Rot. Bonds2

About 4-(2,5-dichlorothiophen-3-yl)-2-(2-fluorophenyl)-1,3-thiazole

4-(2,5-dichlorothiophen-3-yl)-2-(2-fluorophenyl)-1,3-thiazole (PubChem CID 46855330) has the molecular formula C13H6Cl2FNS2 and a molecular weight of 330.24 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophen-3-yl)-2-(2-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)-2-(2-fluorophenyl)-1,3-thiazole
PubChem CID46855330
Molecular FormulaC13H6Cl2FNS2
Molecular Weight330.24 g/mol
Exact Mass328.93
IUPAC Name4-(2,5-dichlorothiophen-3-yl)-2-(2-fluorophenyl)-1,3-thiazole
SMILESFc1ccccc1-c1nc(-c2cc(Cl)sc2Cl)cs1
InChIInChI=1S/C13H6Cl2FNS2/c14-11-5-8(12(15)19-11)10-6-18-13(17-10)7-3-1-2-4-9(7)16/h1-6H
InChIKeyXVGPSWKSWHIHGW-UHFFFAOYSA-N
XLogP5.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.24
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-2-(2-fluorophenyl)-1,3-thiazole?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-2-(2-fluorophenyl)-1,3-thiazole (CID 46855330) is 4-(2,5-dichlorothiophen-3-yl)-2-(2-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)-2-(2-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)-2-(2-fluorophenyl)-1,3-thiazole is Fc1ccccc1-c1nc(-c2cc(Cl)sc2Cl)cs1.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)-2-(2-fluorophenyl)-1,3-thiazole?
The InChIKey is XVGPSWKSWHIHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2FNS2/c14-11-5-8(12(15)19-11)10-6-18-13(17-10)7-3-1-2-4-9(7)16/h1-6H.
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)-2-(2-fluorophenyl)-1,3-thiazole?
4-(2,5-dichlorothiophen-3-yl)-2-(2-fluorophenyl)-1,3-thiazole has a molecular weight of 330.24 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophen-3-yl)-2-(2-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 46855330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).