2-[3-(difluoromethyl)-2-pyridinyl]-1,3-thiazole

C9H6F2N2S — CID 91181182

IUPAC2-[3-(difluoromethyl)-2-pyridinyl]-1,3-thiazole
SMILESFC(F)c1cccnc1-c1nccs1
InChIInChI=1S/C9H6F2N2S/c10-8(11)6-2-1-3-12-7(6)9-13-4-5-14-9/h1-5,8H
InChIKeySKXMAFCLTLSPEE-UHFFFAOYSA-N
MW212.22 g/mol
LogP3.14
Rot. Bonds2

About 2-[3-(difluoromethyl)-2-pyridinyl]-1,3-thiazole

2-[3-(difluoromethyl)-2-pyridinyl]-1,3-thiazole (PubChem CID 91181182) has the molecular formula C9H6F2N2S and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-2-pyridinyl]-1,3-thiazole
PubChem CID91181182
Molecular FormulaC9H6F2N2S
Molecular Weight212.22 g/mol
Exact Mass212.02
IUPAC Name2-[3-(difluoromethyl)-2-pyridinyl]-1,3-thiazole
SMILESFC(F)c1cccnc1-c1nccs1
InChIInChI=1S/C9H6F2N2S/c10-8(11)6-2-1-3-12-7(6)9-13-4-5-14-9/h1-5,8H
InChIKeySKXMAFCLTLSPEE-UHFFFAOYSA-N
XLogP3.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 2-[3-(difluoromethyl)-2-pyridinyl]-1,3-thiazole (CID 91181182) is 2-[3-(difluoromethyl)-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 2-[3-(difluoromethyl)-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 2-[3-(difluoromethyl)-2-pyridinyl]-1,3-thiazole is FC(F)c1cccnc1-c1nccs1.
What is the InChIKey of 2-[3-(difluoromethyl)-2-pyridinyl]-1,3-thiazole?
The InChIKey is SKXMAFCLTLSPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2S/c10-8(11)6-2-1-3-12-7(6)9-13-4-5-14-9/h1-5,8H.
What are the key properties of 2-[3-(difluoromethyl)-2-pyridinyl]-1,3-thiazole?
2-[3-(difluoromethyl)-2-pyridinyl]-1,3-thiazole has a molecular weight of 212.22 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 91181182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).