1-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine

C7H9N5S — CID 131086458

IUPAC1-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine
SMILESCn1cnc(NCc2cscn2)n1
InChIInChI=1S/C7H9N5S/c1-12-4-9-7(11-12)8-2-6-3-13-5-10-6/h3-5H,2H2,1H3,(H,8,11)
InChIKeyJKLRZMVIXILZFY-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.88
Rot. Bonds3

About 1-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine

1-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine (PubChem CID 131086458) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is 1-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine
PubChem CID131086458
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name1-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine
SMILESCn1cnc(NCc2cscn2)n1
InChIInChI=1S/C7H9N5S/c1-12-4-9-7(11-12)8-2-6-3-13-5-10-6/h3-5H,2H2,1H3,(H,8,11)
InChIKeyJKLRZMVIXILZFY-UHFFFAOYSA-N
XLogP0.88
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 115897993
1-methyl-N-(1,3-thiazol-4-ylmethyl)tetrazol-5-amine
CID 63718090
4,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine
CID 131067677
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine
CID 130686343
1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
CID 63831167
N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 63006064
1-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 115749372
2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine
CID 115606212
1-ethyl-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine
CID 63831198
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
6-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 81497978
N-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine
CID 82720392

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine (CID 131086458) is 1-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine is Cn1cnc(NCc2cscn2)n1.
What is the InChIKey of 1-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine?
The InChIKey is JKLRZMVIXILZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-12-4-9-7(11-12)8-2-6-3-13-5-10-6/h3-5H,2H2,1H3,(H,8,11).
What are the key properties of 1-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine?
1-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine has a molecular weight of 195.25 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 131086458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).