ethyl 2-(2-cyano-N-methylanilino)-1,3-thiazole-4-carboxylate

C14H13N3O2S — CID 80569603

IUPACethyl 2-(2-cyano-N-methylanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N(C)c2ccccc2C#N)n1
InChIInChI=1S/C14H13N3O2S/c1-3-19-13(18)11-9-20-14(16-11)17(2)12-7-5-4-6-10(12)8-15/h4-7,9H,3H2,1-2H3
InChIKeyZEQDNFOERJPXAB-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.96
Rot. Bonds4

About ethyl 2-(2-cyano-N-methylanilino)-1,3-thiazole-4-carboxylate

ethyl 2-(2-cyano-N-methylanilino)-1,3-thiazole-4-carboxylate (PubChem CID 80569603) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is ethyl 2-(2-cyano-N-methylanilino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-cyano-N-methylanilino)-1,3-thiazole-4-carboxylate
PubChem CID80569603
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Nameethyl 2-(2-cyano-N-methylanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N(C)c2ccccc2C#N)n1
InChIInChI=1S/C14H13N3O2S/c1-3-19-13(18)11-9-20-14(16-11)17(2)12-7-5-4-6-10(12)8-15/h4-7,9H,3H2,1-2H3
InChIKeyZEQDNFOERJPXAB-UHFFFAOYSA-N
XLogP2.96
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(2-cyano-N-methylanilino)-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(N-benzyl-4-cyanoanilino)-1,3-thiazole-4-carboxylate
CID 135354127
ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 80567825
ethyl 2-(2-cyano-N-methylanilino)pentanoate
CID 83041345
ethyl 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 80568633
ethyl 2-[benzamido-(2-chloroacetyl)amino]-1,3-thiazole-4-carboxylate
CID 4874446
ethyl 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)-methylamino]-1,3-thiazole-4-carboxylate
CID 155592978
ethyl 2-(3,4-dicyanoanilino)-1,3-thiazole-4-carboxylate
CID 107794704
ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 80568795
ethyl 2-[(6-chloro-5-methylpyridazin-3-yl)-methylamino]-1,3-thiazole-4-carboxylate
CID 155592739
ethyl 2-[(4-cyanobenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 748001
ethyl 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568734
ethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568223

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyano-N-methylanilino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2-cyano-N-methylanilino)-1,3-thiazole-4-carboxylate (CID 80569603) is ethyl 2-(2-cyano-N-methylanilino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-cyano-N-methylanilino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2-cyano-N-methylanilino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(N(C)c2ccccc2C#N)n1.
What is the InChIKey of ethyl 2-(2-cyano-N-methylanilino)-1,3-thiazole-4-carboxylate?
The InChIKey is ZEQDNFOERJPXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-3-19-13(18)11-9-20-14(16-11)17(2)12-7-5-4-6-10(12)8-15/h4-7,9H,3H2,1-2H3.
What are the key properties of ethyl 2-(2-cyano-N-methylanilino)-1,3-thiazole-4-carboxylate?
ethyl 2-(2-cyano-N-methylanilino)-1,3-thiazole-4-carboxylate has a molecular weight of 287.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyano-N-methylanilino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 80569603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).