3-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]pyridine-2-carbonitrile

C14H16N4S — CID 62895913

IUPAC3-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]pyridine-2-carbonitrile
SMILESCc1nc(C)c(C(C)NCc2cccnc2C#N)s1
InChIInChI=1S/C14H16N4S/c1-9(14-10(2)18-11(3)19-14)17-8-12-5-4-6-16-13(12)7-15/h4-6,9,17H,8H2,1-3H3
InChIKeyDOJLHPAABWLIFL-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.88
Rot. Bonds4

About 3-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]pyridine-2-carbonitrile

3-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]pyridine-2-carbonitrile (PubChem CID 62895913) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 3-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]pyridine-2-carbonitrile
PubChem CID62895913
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name3-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]pyridine-2-carbonitrile
SMILESCc1nc(C)c(C(C)NCc2cccnc2C#N)s1
InChIInChI=1S/C14H16N4S/c1-9(14-10(2)18-11(3)19-14)17-8-12-5-4-6-16-13(12)7-15/h4-6,9,17H,8H2,1-3H3
InChIKeyDOJLHPAABWLIFL-UHFFFAOYSA-N
XLogP2.88
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]benzonitrile
CID 102664197
N-[(2-bromophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 61059932
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63851225
3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile
CID 82939107
N-[(2-chloro-3-fluorophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 112651900
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 61060970
3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]pyridine-2-carbonitrile
CID 81364964
(2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 83193919
(2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 83191619
2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 62893418
3-[(heptan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 62895575
N-(1-benzofuran-3-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 80701216

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]pyridine-2-carbonitrile (CID 62895913) is 3-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]pyridine-2-carbonitrile is Cc1nc(C)c(C(C)NCc2cccnc2C#N)s1.
What is the InChIKey of 3-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is DOJLHPAABWLIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-9(14-10(2)18-11(3)19-14)17-8-12-5-4-6-16-13(12)7-15/h4-6,9,17H,8H2,1-3H3.
What are the key properties of 3-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]pyridine-2-carbonitrile?
3-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 272.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62895913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).