6-bromo-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N,N-dimethylindazol-4-amine

C12H10BrF2N5S — CID 169032004

IUPAC6-bromo-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N,N-dimethylindazol-4-amine
SMILESCN(C)c1cc(Br)cc2c1cnn2-c1nnc(C(F)F)s1
InChIInChI=1S/C12H10BrF2N5S/c1-19(2)8-3-6(13)4-9-7(8)5-16-20(9)12-18-17-11(21-12)10(14)15/h3-5,10H,1-2H3
InChIKeyAQADBDZPRLHLDC-UHFFFAOYSA-N
MW374.21 g/mol
LogP3.64
Rot. Bonds3

About 6-bromo-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N,N-dimethylindazol-4-amine

6-bromo-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N,N-dimethylindazol-4-amine (PubChem CID 169032004) has the molecular formula C12H10BrF2N5S and a molecular weight of 374.21 g/mol. Its IUPAC name is 6-bromo-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N,N-dimethylindazol-4-amine.

Molecular Properties

Compound Name6-bromo-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N,N-dimethylindazol-4-amine
PubChem CID169032004
Molecular FormulaC12H10BrF2N5S
Molecular Weight374.21 g/mol
Exact Mass372.98
IUPAC Name6-bromo-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N,N-dimethylindazol-4-amine
SMILESCN(C)c1cc(Br)cc2c1cnn2-c1nnc(C(F)F)s1
InChIInChI=1S/C12H10BrF2N5S/c1-19(2)8-3-6(13)4-9-7(8)5-16-20(9)12-18-17-11(21-12)10(14)15/h3-5,10H,1-2H3
InChIKeyAQADBDZPRLHLDC-UHFFFAOYSA-N
XLogP3.64
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N,N-dimethylindazol-4-amine?
The IUPAC name of 6-bromo-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N,N-dimethylindazol-4-amine (CID 169032004) is 6-bromo-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N,N-dimethylindazol-4-amine.
What is the SMILES notation for 6-bromo-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N,N-dimethylindazol-4-amine?
The canonical SMILES for 6-bromo-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N,N-dimethylindazol-4-amine is CN(C)c1cc(Br)cc2c1cnn2-c1nnc(C(F)F)s1.
What is the InChIKey of 6-bromo-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N,N-dimethylindazol-4-amine?
The InChIKey is AQADBDZPRLHLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2N5S/c1-19(2)8-3-6(13)4-9-7(8)5-16-20(9)12-18-17-11(21-12)10(14)15/h3-5,10H,1-2H3.
What are the key properties of 6-bromo-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N,N-dimethylindazol-4-amine?
6-bromo-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N,N-dimethylindazol-4-amine has a molecular weight of 374.21 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N,N-dimethylindazol-4-amine is sourced from PubChem (CID 169032004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).