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

C10H14BrN5S — CID 4765571

IUPAC5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CCn2nc(C)c(Br)c2C)s1
InChIInChI=1S/C10H14BrN5S/c1-6-9(11)7(2)16(15-6)5-4-8-13-14-10(12-3)17-8/h4-5H2,1-3H3,(H,12,14)
InChIKeyQXXXAPQXPJBEAA-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.40
Rot. Bonds4

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

5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 4765571) has the molecular formula C10H14BrN5S and a molecular weight of 316.23 g/mol. Its IUPAC name is 5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID4765571
Molecular FormulaC10H14BrN5S
Molecular Weight316.23 g/mol
Exact Mass315.02
IUPAC Name5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CCn2nc(C)c(Br)c2C)s1
InChIInChI=1S/C10H14BrN5S/c1-6-9(11)7(2)16(15-6)5-4-8-13-14-10(12-3)17-8/h4-5H2,1-3H3,(H,12,14)
InChIKeyQXXXAPQXPJBEAA-UHFFFAOYSA-N
XLogP2.40
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 4765571) is 5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(CCn2nc(C)c(Br)c2C)s1.
What is the InChIKey of 5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QXXXAPQXPJBEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN5S/c1-6-9(11)7(2)16(15-6)5-4-8-13-14-10(12-3)17-8/h4-5H2,1-3H3,(H,12,14).
What are the key properties of 5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 316.23 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 4765571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).