3-methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile

C10H12N6S — CID 79376415

IUPAC3-methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(NC(C)c2nncn2C)c1C#N
InChIInChI=1S/C10H12N6S/c1-6-8(4-11)10(17-15-6)13-7(2)9-14-12-5-16(9)3/h5,7,13H,1-3H3
InChIKeyJDVANGRTHDDFPP-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.62
Rot. Bonds3

About 3-methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile

3-methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile (PubChem CID 79376415) has the molecular formula C10H12N6S and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile
PubChem CID79376415
Molecular FormulaC10H12N6S
Molecular Weight248.31 g/mol
Exact Mass248.08
IUPAC Name3-methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(NC(C)c2nncn2C)c1C#N
InChIInChI=1S/C10H12N6S/c1-6-8(4-11)10(17-15-6)13-7(2)9-14-12-5-16(9)3/h5,7,13H,1-3H3
InChIKeyJDVANGRTHDDFPP-UHFFFAOYSA-N
XLogP1.62
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-dimethyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile
CID 81061348
5,6-diethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridazine-4-carbonitrile
CID 80504752
3-methyl-5-(1-thiophen-3-ylethylamino)-1,2-thiazole-4-carbonitrile
CID 79376328
4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 62117357
4-(2-methyl-1,3-thiazol-4-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103379888
4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103349109
5-(1-imidazol-1-ylpropan-2-ylamino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79376250
3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanenitrile
CID 62117721
5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile
CID 62118812
3-methyl-5-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,2-thiazole-4-carbonitrile
CID 79375802
5-[1-(1-adamantyl)ethylamino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 79370771
2-methyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-diamine
CID 55037646

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile (CID 79376415) is 3-methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile is Cc1nsc(NC(C)c2nncn2C)c1C#N.
What is the InChIKey of 3-methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile?
The InChIKey is JDVANGRTHDDFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6S/c1-6-8(4-11)10(17-15-6)13-7(2)9-14-12-5-16(9)3/h5,7,13H,1-3H3.
What are the key properties of 3-methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile?
3-methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile has a molecular weight of 248.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 79376415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).