2-(1-methylpyrazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine

C8H11N5S — CID 105175038

IUPAC2-(1-methylpyrazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
SMILESCn1ccc(CC(N)c2cnsn2)n1
InChIInChI=1S/C8H11N5S/c1-13-3-2-6(11-13)4-7(9)8-5-10-14-12-8/h2-3,5,7H,4,9H2,1H3
InChIKeyVWCDMGSKXCBTBG-UHFFFAOYSA-N
MW209.28 g/mol
LogP0.51
Rot. Bonds3

About 2-(1-methylpyrazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine

2-(1-methylpyrazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine (PubChem CID 105175038) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
PubChem CID105175038
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name2-(1-methylpyrazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
SMILESCn1ccc(CC(N)c2cnsn2)n1
InChIInChI=1S/C8H11N5S/c1-13-3-2-6(11-13)4-7(9)8-5-10-14-12-8/h2-3,5,7H,4,9H2,1H3
InChIKeyVWCDMGSKXCBTBG-UHFFFAOYSA-N
XLogP0.51
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chloro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876697
2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923732
2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanamine
CID 82878134
2-(2-methyl-1,2,4-triazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105159499
1-(3-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025612
4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
CID 82868697
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82870753
2-(1-methylpyrazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103127963
1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876471
1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 103127966
1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105125486
2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112562653

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine (CID 105175038) is 2-(1-methylpyrazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine is Cn1ccc(CC(N)c2cnsn2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The InChIKey is VWCDMGSKXCBTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-13-3-2-6(11-13)4-7(9)8-5-10-14-12-8/h2-3,5,7H,4,9H2,1H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine?
2-(1-methylpyrazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine has a molecular weight of 209.28 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine is sourced from PubChem (CID 105175038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).