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

C12H12N4OS — CID 54860959

IUPAC5-amino-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-3-carbonitrile
SMILESCc1ncsc1CCOc1ncc(N)cc1C#N
InChIInChI=1S/C12H12N4OS/c1-8-11(18-7-16-8)2-3-17-12-9(5-13)4-10(14)6-15-12/h4,6-7H,2-3,14H2,1H3
InChIKeyXVAXIFOVCWEKLB-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.92
Rot. Bonds4

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

5-amino-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-3-carbonitrile (PubChem CID 54860959) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-amino-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-3-carbonitrile
PubChem CID54860959
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name5-amino-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-3-carbonitrile
SMILESCc1ncsc1CCOc1ncc(N)cc1C#N
InChIInChI=1S/C12H12N4OS/c1-8-11(18-7-16-8)2-3-17-12-9(5-13)4-10(14)6-15-12/h4,6-7H,2-3,14H2,1H3
InChIKeyXVAXIFOVCWEKLB-UHFFFAOYSA-N
XLogP1.92
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridin-3-amine
CID 62475742
2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 104717167
3-amino-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 43518282
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 62071333
2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 62946834
4-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 63094778
3,5-difluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 81282980
2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1,3-thiazol-5-amine
CID 102769344
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-7-amine
CID 65336420
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanenitrile
CID 24697504
[1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-4-yl]methanamine
CID 106777282

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-3-carbonitrile (CID 54860959) is 5-amino-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-3-carbonitrile is Cc1ncsc1CCOc1ncc(N)cc1C#N.
What is the InChIKey of 5-amino-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-3-carbonitrile?
The InChIKey is XVAXIFOVCWEKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-8-11(18-7-16-8)2-3-17-12-9(5-13)4-10(14)6-15-12/h4,6-7H,2-3,14H2,1H3.
What are the key properties of 5-amino-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-3-carbonitrile?
5-amino-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-3-carbonitrile has a molecular weight of 260.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 54860959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).