6-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carbonitrile

C13H14N4S — CID 104577151

IUPAC6-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCC(C)c2nccs2)n1
InChIInChI=1S/C13H14N4S/c1-9(13-15-5-6-18-13)8-16-12-11(7-14)4-3-10(2)17-12/h3-6,9H,8H2,1-2H3,(H,16,17)
InChIKeyIFOHAQBXNIUASJ-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.93
Rot. Bonds4

About 6-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carbonitrile

6-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carbonitrile (PubChem CID 104577151) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 6-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carbonitrile
PubChem CID104577151
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name6-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCC(C)c2nccs2)n1
InChIInChI=1S/C13H14N4S/c1-9(13-15-5-6-18-13)8-16-12-11(7-14)4-3-10(2)17-12/h3-6,9H,8H2,1-2H3,(H,16,17)
InChIKeyIFOHAQBXNIUASJ-UHFFFAOYSA-N
XLogP2.93
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-2-[[(2S)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile
CID 124616325
4,6-dimethyl-2-[[(2R)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile
CID 124616324
2-[2-(1,3-thiazol-2-yl)propylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 104577235
3-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzonitrile
CID 114127699
5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile
CID 104577322
4-[2-(1,3-thiazol-2-yl)propylamino]-2-(trifluoromethyl)benzonitrile
CID 104577255
6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile
CID 62663569
2-fluoro-6-[2-(1,3-thiazol-2-yl)propylamino]benzonitrile
CID 104577319
4-methyl-3-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 104577201
N-[2-(1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
CID 104577139
N-[2-(1,3-thiazol-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine
CID 104577253
6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
CID 55207434

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carbonitrile (CID 104577151) is 6-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carbonitrile is Cc1ccc(C#N)c(NCC(C)c2nccs2)n1.
What is the InChIKey of 6-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carbonitrile?
The InChIKey is IFOHAQBXNIUASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-9(13-15-5-6-18-13)8-16-12-11(7-14)4-3-10(2)17-12/h3-6,9H,8H2,1-2H3,(H,16,17).
What are the key properties of 6-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carbonitrile?
6-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carbonitrile has a molecular weight of 258.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 104577151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).