5-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine

C8H10BrN5S — CID 64623057

IUPAC5-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(Cn1cccn1)Nc1nnc(Br)s1
InChIInChI=1S/C8H10BrN5S/c1-6(5-14-4-2-3-10-14)11-8-13-12-7(9)15-8/h2-4,6H,5H2,1H3,(H,11,13)
InChIKeyBPXUBLFACZHCSX-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.00
Rot. Bonds4

About 5-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine

5-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 64623057) has the molecular formula C8H10BrN5S and a molecular weight of 288.17 g/mol. Its IUPAC name is 5-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID64623057
Molecular FormulaC8H10BrN5S
Molecular Weight288.17 g/mol
Exact Mass286.98
IUPAC Name5-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(Cn1cccn1)Nc1nnc(Br)s1
InChIInChI=1S/C8H10BrN5S/c1-6(5-14-4-2-3-10-14)11-8-13-12-7(9)15-8/h2-4,6H,5H2,1H3,(H,11,13)
InChIKeyBPXUBLFACZHCSX-UHFFFAOYSA-N
XLogP2.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-Methyl-1,3,4-thiadiazol-2-yl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45821059
1-(1-Pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191680
1-(5-Propyl-1,3,4-thiadiazol-2-yl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 53506246
5-(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine
CID 71848636
N-(3-pyrazol-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113586073
N-(2-pyrazol-1-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113586119
N-(1-pyrazol-1-ylpropan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448255
N-(2-pyrazol-1-ylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 133492214
Cyclopropyl{5-[(4-methylpyrazolyl)ethyl](1,3,4-thiadiazol-2-yl)}amine
CID 4774802
N-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-yl]methanethioamide
CID 162293424
5-Pyrazol-1-yl-1,3,4-thiadiazol-2-amine
CID 171818871
5-[5-(Methylamino)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine
CID 172588651

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine (CID 64623057) is 5-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine is CC(Cn1cccn1)Nc1nnc(Br)s1.
What is the InChIKey of 5-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BPXUBLFACZHCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN5S/c1-6(5-14-4-2-3-10-14)11-8-13-12-7(9)15-8/h2-4,6H,5H2,1H3,(H,11,13).
What are the key properties of 5-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine?
5-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 288.17 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64623057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).