2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(thiadiazol-5-yl)ethanamine

C9H12BrN5S — CID 105160984

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(thiadiazol-5-yl)ethanamine
SMILESCc1nn(C)c(CC(N)c2cnns2)c1Br
InChIInChI=1S/C9H12BrN5S/c1-5-9(10)7(15(2)13-5)3-6(11)8-4-12-14-16-8/h4,6H,3,11H2,1-2H3
InChIKeyGEPQSZNSBWDXIJ-UHFFFAOYSA-N
MW302.20 g/mol
LogP1.59
Rot. Bonds3

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(thiadiazol-5-yl)ethanamine

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(thiadiazol-5-yl)ethanamine (PubChem CID 105160984) has the molecular formula C9H12BrN5S and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(thiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(thiadiazol-5-yl)ethanamine
PubChem CID105160984
Molecular FormulaC9H12BrN5S
Molecular Weight302.20 g/mol
Exact Mass301.00
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(thiadiazol-5-yl)ethanamine
SMILESCc1nn(C)c(CC(N)c2cnns2)c1Br
InChIInChI=1S/C9H12BrN5S/c1-5-9(10)7(15(2)13-5)3-6(11)8-4-12-14-16-8/h4,6H,3,11H2,1-2H3
InChIKeyGEPQSZNSBWDXIJ-UHFFFAOYSA-N
XLogP1.59
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105000529
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878006
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-2-fluorophenyl)ethanamine
CID 107953264
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105171790
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,6-dimethoxyphenyl)ethanamine
CID 105000224
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-iodophenyl)ethanamine
CID 105000226
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 105000382
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105162414
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222450
4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole
CID 66049822
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105160896
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 104994614

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(thiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(thiadiazol-5-yl)ethanamine (CID 105160984) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(thiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(thiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(thiadiazol-5-yl)ethanamine is Cc1nn(C)c(CC(N)c2cnns2)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(thiadiazol-5-yl)ethanamine?
The InChIKey is GEPQSZNSBWDXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN5S/c1-5-9(10)7(15(2)13-5)3-6(11)8-4-12-14-16-8/h4,6H,3,11H2,1-2H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(thiadiazol-5-yl)ethanamine?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(thiadiazol-5-yl)ethanamine has a molecular weight of 302.20 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(thiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105160984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).