ethyl 2-[2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate

C17H19N5O3S2 — CID 653429

IUPACethyl 2-[2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CSc2nc3cccnc3n2CC)n1
InChIInChI=1S/C17H19N5O3S2/c1-3-22-15-12(6-5-7-18-15)20-17(22)27-10-13(23)21-16-19-11(9-26-16)8-14(24)25-4-2/h5-7,9H,3-4,8,10H2,1-2H3,(H,19,21,23)
InChIKeyOHDUHVZEWUGVOV-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.74
Rot. Bonds8

About ethyl 2-[2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 653429) has the molecular formula C17H19N5O3S2 and a molecular weight of 405.51 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID653429
Molecular FormulaC17H19N5O3S2
Molecular Weight405.51 g/mol
Exact Mass405.09
IUPAC Nameethyl 2-[2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CSc2nc3cccnc3n2CC)n1
InChIInChI=1S/C17H19N5O3S2/c1-3-22-15-12(6-5-7-18-15)20-17(22)27-10-13(23)21-16-19-11(9-26-16)8-14(24)25-4-2/h5-7,9H,3-4,8,10H2,1-2H3,(H,19,21,23)
InChIKeyOHDUHVZEWUGVOV-UHFFFAOYSA-N
XLogP2.74
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-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-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)acetamide
CID 1117212
2-(3-Cyclohexyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4,5-dimethyl-thiazol-2-yl)-acetamide
CID 650398
2-[2-(3-Cyclohexyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetylamino]-4-methyl-thiazole-5-carboxylic acid methyl ester
CID 650946
2-(3-Benzyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4,5-dimethyl-thiazol-2-yl)-acetamide
CID 655535
Ethyl 2-[2-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetamido)-1,3-thiazol-4-yl]acetate
CID 1554307
4-Methyl-2-[2-(3-methyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetylamino]-thiazole-5-carboxylic acid ethyl ester
CID 3214218
Methyl diazol-2-yl)-4-(2-methylphenoxy)butanamide
CID 2359616
2-(6-Imidazo[2,1-b]thiazolyl)acetic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester
CID 2998514
4-Methyl-2-[2-(3-methyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetylamino]-thiazole-5-carboxylic acid methyl ester
CID 3214217
N-(4,5-Dimethyl-thiazol-2-yl)-2-(3-ethyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetamide
CID 3214226
2-(3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide
CID 5299254
Ethyl 2-[2-(1-methylbenzimidazol-2-yl)-1,3-thiazol-4-yl]acetate
CID 51032679

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate (CID 653429) is ethyl 2-[2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CSc2nc3cccnc3n2CC)n1.
What is the InChIKey of ethyl 2-[2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is OHDUHVZEWUGVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S2/c1-3-22-15-12(6-5-7-18-15)20-17(22)27-10-13(23)21-16-19-11(9-26-16)8-14(24)25-4-2/h5-7,9H,3-4,8,10H2,1-2H3,(H,19,21,23).
What are the key properties of ethyl 2-[2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 405.51 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 653429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).