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

C8H10BrN5S — CID 112671804

IUPAC5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nn(C)cc1CNc1nnc(Br)s1
InChIInChI=1S/C8H10BrN5S/c1-5-6(4-14(2)13-5)3-10-8-12-11-7(9)15-8/h4H,3H2,1-2H3,(H,10,12)
InChIKeyIRTVYGISYOCYGF-UHFFFAOYSA-N
MW288.17 g/mol
LogP1.95
Rot. Bonds3

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

5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 112671804) has the molecular formula C8H10BrN5S and a molecular weight of 288.17 g/mol. Its IUPAC name is 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID112671804
Molecular FormulaC8H10BrN5S
Molecular Weight288.17 g/mol
Exact Mass286.98
IUPAC Name5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nn(C)cc1CNc1nnc(Br)s1
InChIInChI=1S/C8H10BrN5S/c1-5-6(4-14(2)13-5)3-10-8-12-11-7(9)15-8/h4H,3H2,1-2H3,(H,10,12)
InChIKeyIRTVYGISYOCYGF-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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Related Compounds

5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 112549988
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104599696
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethyl-1,3-thiazol-2-amine
CID 112670751
5-bromo-N-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64625511
5-bromo-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 130747722
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 112672179
3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 113413721
5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine
CID 112670727
3-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 112670593
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 112671955
6-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 113431275
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 112671215

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 112671804) is 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is Cc1nn(C)cc1CNc1nnc(Br)s1.
What is the InChIKey of 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is IRTVYGISYOCYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN5S/c1-5-6(4-14(2)13-5)3-10-8-12-11-7(9)15-8/h4H,3H2,1-2H3,(H,10,12).
What are the key properties of 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-[(1,3-dimethylpyrazol-4-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-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 112671804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).