ethyl 2-[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C17H19N3O5S — CID 91815265

IUPACethyl 2-[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccnc(OC3CCOC3)c2)n1
InChIInChI=1S/C17H19N3O5S/c1-2-24-15(21)8-12-10-26-17(19-12)20-16(22)11-3-5-18-14(7-11)25-13-4-6-23-9-13/h3,5,7,10,13H,2,4,6,8-9H2,1H3,(H,19,20,22)
InChIKeyWDKATKPBLYBKGR-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.06
Rot. Bonds7

About ethyl 2-[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 91815265) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID91815265
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Nameethyl 2-[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccnc(OC3CCOC3)c2)n1
InChIInChI=1S/C17H19N3O5S/c1-2-24-15(21)8-12-10-26-17(19-12)20-16(22)11-3-5-18-14(7-11)25-13-4-6-23-9-13/h3,5,7,10,13H,2,4,6,8-9H2,1H3,(H,19,20,22)
InChIKeyWDKATKPBLYBKGR-UHFFFAOYSA-N
XLogP2.06
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815245
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 127842915
ethyl 2-[2-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 60572662
(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120525990
N-(2,6-difluorophenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815300
ethyl 2-[2-[(4-chloro-3-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 38937088
2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide
CID 124616240
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
ethyl 2-[2-[(6-bromopyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 66463368
ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 71704945

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 91815265) is ethyl 2-[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccnc(OC3CCOC3)c2)n1.
What is the InChIKey of ethyl 2-[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is WDKATKPBLYBKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-2-24-15(21)8-12-10-26-17(19-12)20-16(22)11-3-5-18-14(7-11)25-13-4-6-23-9-13/h3,5,7,10,13H,2,4,6,8-9H2,1H3,(H,19,20,22).
What are the key properties of ethyl 2-[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 377.42 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 91815265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).