5-bromo-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,3,4-thiadiazol-2-amine

C8H10BrN5S — CID 130747722

IUPAC5-bromo-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(CNc2nnc(Br)s2)n(C)n1
InChIInChI=1S/C8H10BrN5S/c1-5-3-6(14(2)13-5)4-10-8-12-11-7(9)15-8/h3H,4H2,1-2H3,(H,10,12)
InChIKeyCSKRNSASOIOSIB-UHFFFAOYSA-N
MW288.17 g/mol
LogP1.95
Rot. Bonds3

About 5-bromo-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,3,4-thiadiazol-2-amine

5-bromo-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 130747722) has the molecular formula C8H10BrN5S and a molecular weight of 288.17 g/mol. Its IUPAC name is 5-bromo-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID130747722
Molecular FormulaC8H10BrN5S
Molecular Weight288.17 g/mol
Exact Mass286.98
IUPAC Name5-bromo-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(CNc2nnc(Br)s2)n(C)n1
InChIInChI=1S/C8H10BrN5S/c1-5-3-6(14(2)13-5)4-10-8-12-11-7(9)15-8/h3H,4H2,1-2H3,(H,10,12)
InChIKeyCSKRNSASOIOSIB-UHFFFAOYSA-N
XLogP1.95
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 130747722) is 5-bromo-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,3,4-thiadiazol-2-amine is Cc1cc(CNc2nnc(Br)s2)n(C)n1.
What is the InChIKey of 5-bromo-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CSKRNSASOIOSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN5S/c1-5-3-6(14(2)13-5)4-10-8-12-11-7(9)15-8/h3H,4H2,1-2H3,(H,10,12).
What are the key properties of 5-bromo-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 288.17 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130747722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).