3-methyl-5-(2-pyridin-2-ylethylamino)-1,2-thiazole-4-carbonitrile

C12H12N4S — CID 79376309

IUPAC3-methyl-5-(2-pyridin-2-ylethylamino)-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(NCCc2ccccn2)c1C#N
InChIInChI=1S/C12H12N4S/c1-9-11(8-13)12(17-16-9)15-7-5-10-4-2-3-6-14-10/h2-4,6,15H,5,7H2,1H3
InChIKeyKDXBDVNDFWGLTQ-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.37
Rot. Bonds4

About 3-methyl-5-(2-pyridin-2-ylethylamino)-1,2-thiazole-4-carbonitrile

3-methyl-5-(2-pyridin-2-ylethylamino)-1,2-thiazole-4-carbonitrile (PubChem CID 79376309) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-methyl-5-(2-pyridin-2-ylethylamino)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-5-(2-pyridin-2-ylethylamino)-1,2-thiazole-4-carbonitrile
PubChem CID79376309
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name3-methyl-5-(2-pyridin-2-ylethylamino)-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(NCCc2ccccn2)c1C#N
InChIInChI=1S/C12H12N4S/c1-9-11(8-13)12(17-16-9)15-7-5-10-4-2-3-6-14-10/h2-4,6,15H,5,7H2,1H3
InChIKeyKDXBDVNDFWGLTQ-UHFFFAOYSA-N
XLogP2.37
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-(2-thiophen-2-ylethylamino)-1,2-thiazole-4-carbonitrile
CID 79375455
2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile
CID 133498376
3-methyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-carbonitrile
CID 115522986
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
N-methyl-2-pyridin-2-ylethanamine;hydroiodide
CID 135260552
5-[(3-cyanophenyl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375380
3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile
CID 78981152
2,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 60725788
3-methyl-5-(3-pyrrolidin-1-ylpropylamino)-1,2-thiazole-4-carbonitrile
CID 79375135
3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile
CID 82816791
2-pyridin-2-yl-N-(trideuterio(113C)methyl)ethanamine
CID 163322530
2,5-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 60720537

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-pyridin-2-ylethylamino)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-methyl-5-(2-pyridin-2-ylethylamino)-1,2-thiazole-4-carbonitrile (CID 79376309) is 3-methyl-5-(2-pyridin-2-ylethylamino)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-5-(2-pyridin-2-ylethylamino)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-methyl-5-(2-pyridin-2-ylethylamino)-1,2-thiazole-4-carbonitrile is Cc1nsc(NCCc2ccccn2)c1C#N.
What is the InChIKey of 3-methyl-5-(2-pyridin-2-ylethylamino)-1,2-thiazole-4-carbonitrile?
The InChIKey is KDXBDVNDFWGLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-9-11(8-13)12(17-16-9)15-7-5-10-4-2-3-6-14-10/h2-4,6,15H,5,7H2,1H3.
What are the key properties of 3-methyl-5-(2-pyridin-2-ylethylamino)-1,2-thiazole-4-carbonitrile?
3-methyl-5-(2-pyridin-2-ylethylamino)-1,2-thiazole-4-carbonitrile has a molecular weight of 244.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-pyridin-2-ylethylamino)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 79376309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).