ethyl 2-[2-[[(6-cyano-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]acetate

C14H14N4O2S — CID 154844984

IUPACethyl 2-[2-[[(6-cyano-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(CNc2cccc(C#N)n2)n1
InChIInChI=1S/C14H14N4O2S/c1-2-20-14(19)6-11-9-21-13(18-11)8-16-12-5-3-4-10(7-15)17-12/h3-5,9H,2,6,8H2,1H3,(H,16,17)
InChIKeyKOXDBYZXJHWEIF-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.13
Rot. Bonds6

About ethyl 2-[2-[[(6-cyano-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[(6-cyano-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]acetate (PubChem CID 154844984) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is ethyl 2-[2-[[(6-cyano-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[(6-cyano-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]acetate
PubChem CID154844984
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Nameethyl 2-[2-[[(6-cyano-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(CNc2cccc(C#N)n2)n1
InChIInChI=1S/C14H14N4O2S/c1-2-20-14(19)6-11-9-21-13(18-11)8-16-12-5-3-4-10(7-15)17-12/h3-5,9H,2,6,8H2,1H3,(H,16,17)
InChIKeyKOXDBYZXJHWEIF-UHFFFAOYSA-N
XLogP2.13
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[(6-cyano-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate
CID 64589745
ethyl 2-[[(6-cyano-2-pyridinyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 154834049
ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate
CID 7140220
6-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methylamino]pyridine-2-carbonitrile
CID 133392835
ethyl 2-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]acetate
CID 80574337
methyl 2-[(6-cyano-2-pyridinyl)amino]acetate
CID 64589954
ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 1132760
ethyl 2-[2-[[3-(3-fluorophenyl)propylamino]methyl]-1,3-thiazol-4-yl]acetate
CID 70349133
ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate
CID 107380154
ethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate
CID 107380238
ethyl 2-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-4-yl]acetate
CID 80573381
ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate
CID 107380027

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[(6-cyano-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[(6-cyano-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]acetate (CID 154844984) is ethyl 2-[2-[[(6-cyano-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[(6-cyano-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[(6-cyano-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(CNc2cccc(C#N)n2)n1.
What is the InChIKey of ethyl 2-[2-[[(6-cyano-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is KOXDBYZXJHWEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-2-20-14(19)6-11-9-21-13(18-11)8-16-12-5-3-4-10(7-15)17-12/h3-5,9H,2,6,8H2,1H3,(H,16,17).
What are the key properties of ethyl 2-[2-[[(6-cyano-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[(6-cyano-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 302.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[(6-cyano-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 154844984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).