[5-(5-methyl-3,4-dihydropyrazol-5-yl)-1,3,4-thiadiazol-2-yl]methanamine

C7H11N5S — CID 91524607

IUPAC[5-(5-methyl-3,4-dihydropyrazol-5-yl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCC1(c2nnc(CN)s2)CCN=N1
InChIInChI=1S/C7H11N5S/c1-7(2-3-9-12-7)6-11-10-5(4-8)13-6/h2-4,8H2,1H3
InChIKeyGSQJASXQAXWGGS-UHFFFAOYSA-N
MW197.27 g/mol
LogP1.07
Rot. Bonds2

About [5-(5-methyl-3,4-dihydropyrazol-5-yl)-1,3,4-thiadiazol-2-yl]methanamine

[5-(5-methyl-3,4-dihydropyrazol-5-yl)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 91524607) has the molecular formula C7H11N5S and a molecular weight of 197.27 g/mol. Its IUPAC name is [5-(5-methyl-3,4-dihydropyrazol-5-yl)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(5-methyl-3,4-dihydropyrazol-5-yl)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID91524607
Molecular FormulaC7H11N5S
Molecular Weight197.27 g/mol
Exact Mass197.07
IUPAC Name[5-(5-methyl-3,4-dihydropyrazol-5-yl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCC1(c2nnc(CN)s2)CCN=N1
InChIInChI=1S/C7H11N5S/c1-7(2-3-9-12-7)6-11-10-5(4-8)13-6/h2-4,8H2,1H3
InChIKeyGSQJASXQAXWGGS-UHFFFAOYSA-N
XLogP1.07
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(5-methyl-3,4-dihydropyrazol-5-yl)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(5-methyl-3,4-dihydropyrazol-5-yl)-1,3,4-thiadiazol-2-yl]methanamine (CID 91524607) is [5-(5-methyl-3,4-dihydropyrazol-5-yl)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(5-methyl-3,4-dihydropyrazol-5-yl)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(5-methyl-3,4-dihydropyrazol-5-yl)-1,3,4-thiadiazol-2-yl]methanamine is CC1(c2nnc(CN)s2)CCN=N1.
What is the InChIKey of [5-(5-methyl-3,4-dihydropyrazol-5-yl)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is GSQJASXQAXWGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5S/c1-7(2-3-9-12-7)6-11-10-5(4-8)13-6/h2-4,8H2,1H3.
What are the key properties of [5-(5-methyl-3,4-dihydropyrazol-5-yl)-1,3,4-thiadiazol-2-yl]methanamine?
[5-(5-methyl-3,4-dihydropyrazol-5-yl)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 197.27 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methyl-3,4-dihydropyrazol-5-yl)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 91524607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).