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

C7H10N6S — CID 103934107

IUPAC5-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2cn(C)nn2)s1
InChIInChI=1S/C7H10N6S/c1-5-9-11-7(14-5)8-3-6-4-13(2)12-10-6/h4H,3H2,1-2H3,(H,8,11)
InChIKeyDZVFZBFLGBCKCG-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.59
Rot. Bonds3

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

5-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 103934107) has the molecular formula C7H10N6S and a molecular weight of 210.27 g/mol. Its IUPAC name is 5-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID103934107
Molecular FormulaC7H10N6S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name5-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2cn(C)nn2)s1
InChIInChI=1S/C7H10N6S/c1-5-9-11-7(14-5)8-3-6-4-13(2)12-10-6/h4H,3H2,1-2H3,(H,8,11)
InChIKeyDZVFZBFLGBCKCG-UHFFFAOYSA-N
XLogP0.59
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64915771
5-methyl-N-(thiadiazol-4-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 107648317
N-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine
CID 127015751
5-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924977
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 103858254
2-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 103698521
N-[(6-bromo-2-pyridinyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648229
3-[4-[[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]methyl]triazol-1-yl]propan-1-ol
CID 106260217
N-methoxy-1-(1-methyltriazol-4-yl)methanamine
CID 82707197
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-methyltriazol-4-yl)methanamine
CID 62755804
5-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64982707
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209607

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 103934107) is 5-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(NCc2cn(C)nn2)s1.
What is the InChIKey of 5-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is DZVFZBFLGBCKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S/c1-5-9-11-7(14-5)8-3-6-4-13(2)12-10-6/h4H,3H2,1-2H3,(H,8,11).
What are the key properties of 5-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 210.27 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103934107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).