4,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine

C8H11N5S — CID 131067677

IUPAC4,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine
SMILESCc1nnc(NCc2cscn2)n1C
InChIInChI=1S/C8H11N5S/c1-6-11-12-8(13(6)2)9-3-7-4-14-5-10-7/h4-5H,3H2,1-2H3,(H,9,12)
InChIKeySTSSKTIRDBMHRK-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.19
Rot. Bonds3

About 4,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine

4,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine (PubChem CID 131067677) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 4,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine
PubChem CID131067677
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name4,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine
SMILESCc1nnc(NCc2cscn2)n1C
InChIInChI=1S/C8H11N5S/c1-6-11-12-8(13(6)2)9-3-7-4-14-5-10-7/h4-5H,3H2,1-2H3,(H,9,12)
InChIKeySTSSKTIRDBMHRK-UHFFFAOYSA-N
XLogP1.19
TPSA55.63 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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-(1,3-thiazol-4-ylmethyl)tetrazol-5-amine
CID 63718090
1-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine
CID 131086458
1-ethyl-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine
CID 63831198
1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine
CID 106572554
1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
CID 63831167
N-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine
CID 82720392
6-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 81497978
2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-2-sulfinamide
CID 155213884
5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
CID 115914406
1-propyl-N-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
CID 86782857
2-N,6-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845473
3-ethyl-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 115897993

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 4,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine (CID 131067677) is 4,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 4,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 4,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine is Cc1nnc(NCc2cscn2)n1C.
What is the InChIKey of 4,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine?
The InChIKey is STSSKTIRDBMHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-6-11-12-8(13(6)2)9-3-7-4-14-5-10-7/h4-5H,3H2,1-2H3,(H,9,12).
What are the key properties of 4,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine?
4,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine has a molecular weight of 209.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 131067677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).