ethyl 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylate

C14H16N2O2S — CID 824474

IUPACethyl 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N(C)C)nc1-c1ccccc1
InChIInChI=1S/C14H16N2O2S/c1-4-18-13(17)12-11(10-8-6-5-7-9-10)15-14(19-12)16(2)3/h5-9H,4H2,1-3H3
InChIKeyJEGNXUSVFLWSSS-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.05
Rot. Bonds4

About ethyl 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylate

ethyl 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 824474) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is ethyl 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID824474
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Nameethyl 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N(C)C)nc1-c1ccccc1
InChIInChI=1S/C14H16N2O2S/c1-4-18-13(17)12-11(10-8-6-5-7-9-10)15-14(19-12)16(2)3/h5-9H,4H2,1-3H3
InChIKeyJEGNXUSVFLWSSS-UHFFFAOYSA-N
XLogP3.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-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-amino-4-phenyl-1,3-thiazole-5-carboxylate
CID 73239
Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 2743970
Benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate
CID 752042
Ethyl 4-methyl-2-[(3-phenylpropanoyl)amino]-1,3-thiazole-5-carboxylate
CID 2072961
Ethyl 2-{[(benzoylamino)carbothioyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 782862
Ethyl 2-acetamido-4-phenylthiazole-5-carboxylate
CID 3941062
Ethyl 4-phenyl-2-(phenylamino)thiazole-5-carboxylate
CID 10853437
Ethyl 2-(3,4-dimethylanilino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 118096600
Ethyl 2-(3-fluoro-4-methylanilino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 118732510
Ethyl 4-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate
CID 118732511
Ethyl 2-(4-tert-butylanilino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 118732512
Ethyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 7131013

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylate (CID 824474) is ethyl 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N(C)C)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is JEGNXUSVFLWSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-4-18-13(17)12-11(10-8-6-5-7-9-10)15-14(19-12)16(2)3/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylate?
ethyl 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 824474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).