2-(6-bromoindazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole

C10H5BrF2N4S — CID 172634394

IUPAC2-(6-bromoindazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)c1nnc(-n2ncc3ccc(Br)cc32)s1
InChIInChI=1S/C10H5BrF2N4S/c11-6-2-1-5-4-14-17(7(5)3-6)10-16-15-9(18-10)8(12)13/h1-4,8H
InChIKeyPPIGEDPAWKWHGE-UHFFFAOYSA-N
MW331.15 g/mol
LogP3.58
Rot. Bonds2

About 2-(6-bromoindazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole

2-(6-bromoindazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole (PubChem CID 172634394) has the molecular formula C10H5BrF2N4S and a molecular weight of 331.15 g/mol. Its IUPAC name is 2-(6-bromoindazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(6-bromoindazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole
PubChem CID172634394
Molecular FormulaC10H5BrF2N4S
Molecular Weight331.15 g/mol
Exact Mass329.94
IUPAC Name2-(6-bromoindazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)c1nnc(-n2ncc3ccc(Br)cc32)s1
InChIInChI=1S/C10H5BrF2N4S/c11-6-2-1-5-4-14-17(7(5)3-6)10-16-15-9(18-10)8(12)13/h1-4,8H
InChIKeyPPIGEDPAWKWHGE-UHFFFAOYSA-N
XLogP3.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoindazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(6-bromoindazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole (CID 172634394) is 2-(6-bromoindazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(6-bromoindazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(6-bromoindazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole is FC(F)c1nnc(-n2ncc3ccc(Br)cc32)s1.
What is the InChIKey of 2-(6-bromoindazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole?
The InChIKey is PPIGEDPAWKWHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF2N4S/c11-6-2-1-5-4-14-17(7(5)3-6)10-16-15-9(18-10)8(12)13/h1-4,8H.
What are the key properties of 2-(6-bromoindazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole?
2-(6-bromoindazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole has a molecular weight of 331.15 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoindazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 172634394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).