4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

C12H8F2N4OS — CID 62946114

IUPAC4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESFC(F)Oc1cccc(-c2csc(-c3ncn[nH]3)n2)c1
InChIInChI=1S/C12H8F2N4OS/c13-12(14)19-8-3-1-2-7(4-8)9-5-20-11(17-9)10-15-6-16-18-10/h1-6,12H,(H,15,16,18)
InChIKeyRMAFQZJFQPTROV-UHFFFAOYSA-N
MW294.29 g/mol
LogP3.20
Rot. Bonds4

About 4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 62946114) has the molecular formula C12H8F2N4OS and a molecular weight of 294.29 g/mol. Its IUPAC name is 4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID62946114
Molecular FormulaC12H8F2N4OS
Molecular Weight294.29 g/mol
Exact Mass294.04
IUPAC Name4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESFC(F)Oc1cccc(-c2csc(-c3ncn[nH]3)n2)c1
InChIInChI=1S/C12H8F2N4OS/c13-12(14)19-8-3-1-2-7(4-8)9-5-20-11(17-9)10-15-6-16-18-10/h1-6,12H,(H,15,16,18)
InChIKeyRMAFQZJFQPTROV-UHFFFAOYSA-N
XLogP3.20
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 62946114) is 4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for 4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is FC(F)Oc1cccc(-c2csc(-c3ncn[nH]3)n2)c1.
What is the InChIKey of 4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is RMAFQZJFQPTROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4OS/c13-12(14)19-8-3-1-2-7(4-8)9-5-20-11(17-9)10-15-6-16-18-10/h1-6,12H,(H,15,16,18).
What are the key properties of 4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 294.29 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 62946114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).