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

C7H10N6S — CID 65209107

IUPAC5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCc2ncn[nH]2)s1
InChIInChI=1S/C7H10N6S/c1-5-11-13-7(14-5)8-3-2-6-9-4-10-12-6/h4H,2-3H2,1H3,(H,8,13)(H,9,10,12)
InChIKeyHYYNFAGXAZYZEU-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.62
Rot. Bonds4

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

5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 65209107) has the molecular formula C7H10N6S and a molecular weight of 210.27 g/mol. Its IUPAC name is 5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID65209107
Molecular FormulaC7H10N6S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCc2ncn[nH]2)s1
InChIInChI=1S/C7H10N6S/c1-5-11-13-7(14-5)8-3-2-6-9-4-10-12-6/h4H,2-3H2,1H3,(H,8,13)(H,9,10,12)
InChIKeyHYYNFAGXAZYZEU-UHFFFAOYSA-N
XLogP0.62
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 65209107) is 5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(NCCc2ncn[nH]2)s1.
What is the InChIKey of 5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is HYYNFAGXAZYZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S/c1-5-11-13-7(14-5)8-3-2-6-9-4-10-12-6/h4H,2-3H2,1H3,(H,8,13)(H,9,10,12).
What are the key properties of 5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 210.27 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65209107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).