3-N-ethyl-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine

C7H10N6S — CID 58976457

IUPAC3-N-ethyl-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
SMILESCCNc1nc(N)n(-c2nccs2)n1
InChIInChI=1S/C7H10N6S/c1-2-9-6-11-5(8)13(12-6)7-10-3-4-14-7/h3-4H,2H2,1H3,(H3,8,9,11,12)
InChIKeyUDLSXSRQZJKQEX-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.74
Rot. Bonds3

About 3-N-ethyl-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine

3-N-ethyl-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine (PubChem CID 58976457) has the molecular formula C7H10N6S and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-N-ethyl-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
PubChem CID58976457
Molecular FormulaC7H10N6S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name3-N-ethyl-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
SMILESCCNc1nc(N)n(-c2nccs2)n1
InChIInChI=1S/C7H10N6S/c1-2-9-6-11-5(8)13(12-6)7-10-3-4-14-7/h3-4H,2H2,1H3,(H3,8,9,11,12)
InChIKeyUDLSXSRQZJKQEX-UHFFFAOYSA-N
XLogP0.74
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-N-(2-methoxyphenyl)-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
CID 58976859
N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80754129
3-N-[4-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
CID 175793445
N-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80756500
3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 114797790
1-(4-bromo-2-methylphenyl)-3-N-ethyl-1,2,4-triazole-3,5-diamine
CID 113420709
3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine
CID 82878905
3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine
CID 82880873
3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine
CID 61176031
ethane;bis(3-N-ethyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine);bis(5-N-ethyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine);5-N-ethyl-1-pyrimidin-4-yl-1,2,4-triazole-3,5-diamine
CID 159134399
4-chloro-3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine
CID 82880631
2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80782409

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-ethyl-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine (CID 58976457) is 3-N-ethyl-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-ethyl-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine is CCNc1nc(N)n(-c2nccs2)n1.
What is the InChIKey of 3-N-ethyl-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?
The InChIKey is UDLSXSRQZJKQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S/c1-2-9-6-11-5(8)13(12-6)7-10-3-4-14-7/h3-4H,2H2,1H3,(H3,8,9,11,12).
What are the key properties of 3-N-ethyl-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?
3-N-ethyl-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine has a molecular weight of 210.27 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 58976457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).