2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C13H11F3N4S — CID 133413062

IUPAC2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCN(CCc1nccs1)c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C13H11F3N4S/c1-20(6-4-11-18-5-7-21-11)12-9(8-17)2-3-10(19-12)13(14,15)16/h2-3,5,7H,4,6H2,1H3
InChIKeyDYJWATOZLWZJLH-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.11
Rot. Bonds4

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

2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 133413062) has the molecular formula C13H11F3N4S and a molecular weight of 312.32 g/mol. Its IUPAC name is 2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID133413062
Molecular FormulaC13H11F3N4S
Molecular Weight312.32 g/mol
Exact Mass312.07
IUPAC Name2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCN(CCc1nccs1)c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C13H11F3N4S/c1-20(6-4-11-18-5-7-21-11)12-9(8-17)2-3-10(19-12)13(14,15)16/h2-3,5,7H,4,6H2,1H3
InChIKeyDYJWATOZLWZJLH-UHFFFAOYSA-N
XLogP3.11
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 133413062) is 2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is CN(CCc1nccs1)c1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is DYJWATOZLWZJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4S/c1-20(6-4-11-18-5-7-21-11)12-9(8-17)2-3-10(19-12)13(14,15)16/h2-3,5,7H,4,6H2,1H3.
What are the key properties of 2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 312.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 133413062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).