ethyl 2-[4-phenyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]acetate

C18H17N3O2S — CID 6624893

IUPACethyl 2-[4-phenyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1sc(Nc2ccccn2)nc1-c1ccccc1
InChIInChI=1S/C18H17N3O2S/c1-2-23-16(22)12-14-17(13-8-4-3-5-9-13)21-18(24-14)20-15-10-6-7-11-19-15/h3-11H,2,12H2,1H3,(H,19,20,21)
InChIKeyVUNKVEVRSZSEPL-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.05
Rot. Bonds6

About ethyl 2-[4-phenyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]acetate

ethyl 2-[4-phenyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]acetate (PubChem CID 6624893) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is ethyl 2-[4-phenyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-phenyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]acetate
PubChem CID6624893
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Nameethyl 2-[4-phenyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1sc(Nc2ccccn2)nc1-c1ccccc1
InChIInChI=1S/C18H17N3O2S/c1-2-23-16(22)12-14-17(13-8-4-3-5-9-13)21-18(24-14)20-15-10-6-7-11-19-15/h3-11H,2,12H2,1H3,(H,19,20,21)
InChIKeyVUNKVEVRSZSEPL-UHFFFAOYSA-N
XLogP4.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-phenyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]acetate 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

N-[4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]phenylacetamide
CID 10295235
2-(4-(2-Aminopyridin-4-yl)-2-(bis(4-fluorophenyl)methyl)thiazol-5-yl)acetic acid
CID 16222206
2-Phenyl-N-[4-(pyridin-4-YL)-1,3-thiazol-2-YL]acetamide
CID 16344190
2-(4-(4-Fluorophenyl)-2-(phenyl(pyridin-3-yl)amino)thiazol-5-yl)acetic acid
CID 16660287
1-[(1S)-2-methoxy-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87406371
ethyl 4-benzyl-1-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}piperidine-4-carboxylate
CID 16191792
2-(2-(Bis(4-fluorophenyl)methyl)-4-(2-(methylamino)pyridin-4-yl)thiazol-5-yl)acetic acid
CID 46229940
2-(2-(Bis(4-fluorophenyl)methyl)-4-(2-(dimethylamino)pyridin-4-yl)thiazol-5-yl)acetic acid
CID 46229941
2-(4-(2-(Azetidin-1-yl)pyridin-4-yl)-2-(bis(4-fluorophenyl)methyl)thiazol-5-yl)acetic acid
CID 46229942
2-(2-(Bis(4-fluorophenyl)methyl)-4-(2-(pyrrolidin-1-yl)pyridin-4-yl)thiazol-5-yl)acetic acid
CID 46229943
2-(4-(6-Aminopyridin-3-yl)-2-(bis(4-fluorophenyl)methyl)thiazol-5-yl)acetic acid
CID 46229992
2-(4-(6-Amino-5-methylpyridin-3-yl)-2-(bis(4-fluorophenyl)methyl)thiazol-5-yl)acetic acid
CID 46229993

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-phenyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]acetate?
The IUPAC name of ethyl 2-[4-phenyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]acetate (CID 6624893) is ethyl 2-[4-phenyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[4-phenyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[4-phenyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]acetate is CCOC(=O)Cc1sc(Nc2ccccn2)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-[4-phenyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]acetate?
The InChIKey is VUNKVEVRSZSEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-2-23-16(22)12-14-17(13-8-4-3-5-9-13)21-18(24-14)20-15-10-6-7-11-19-15/h3-11H,2,12H2,1H3,(H,19,20,21).
What are the key properties of ethyl 2-[4-phenyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]acetate?
ethyl 2-[4-phenyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]acetate has a molecular weight of 339.42 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-phenyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 6624893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).