methyl 7-[[4-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate

C20H18N2O3S — CID 142503606

IUPACmethyl 7-[[4-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cc(Cc2ccc(-c3ncc(C)s3)cc2)c2c(n1)CCO2
InChIInChI=1S/C20H18N2O3S/c1-12-11-21-19(26-12)14-5-3-13(4-6-14)9-15-10-17(20(23)24-2)22-16-7-8-25-18(15)16/h3-6,10-11H,7-9H2,1-2H3
InChIKeyPAWPMTFWWTWNEN-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.83
Rot. Bonds4

About methyl 7-[[4-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate

methyl 7-[[4-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate (PubChem CID 142503606) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is methyl 7-[[4-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-[[4-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate
PubChem CID142503606
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Namemethyl 7-[[4-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cc(Cc2ccc(-c3ncc(C)s3)cc2)c2c(n1)CCO2
InChIInChI=1S/C20H18N2O3S/c1-12-11-21-19(26-12)14-5-3-13(4-6-14)9-15-10-17(20(23)24-2)22-16-7-8-25-18(15)16/h3-6,10-11H,7-9H2,1-2H3
InChIKeyPAWPMTFWWTWNEN-UHFFFAOYSA-N
XLogP3.83
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 7-[[4-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate with MolForge

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Related Compounds

4-(4-Fluorophenyl)-5-(thiazol-5-ylmethoxy)picolinamide
CID 122539741
US20230348450, Example 61
CID 162757355
2-[4-(Difluoromethoxy)phenyl]-7-(1,3-thiazol-5-yl)furo[3,2-b]pyridine
CID 66780360
Methyl 4-[5-[1-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]ethyl]-1,3-thiazol-2-yl]-2-fluorobenzoate
CID 117701156
Methyl 4-(2-fluoro-3-pyridinyl)-9-oxa-3-thia-14-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-13-carboxylate
CID 150644494
methyl 2-[2-oxo-2-(8-oxo-6,7-dihydro-5H-indolizin-5-yl)ethyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxylate
CID 157354074
Sdccgsbi-0115346.P001
CID 45218000
7-Ethoxycarbonyl-3-phenylfuro[3,2-d][1,3]thiazolo[3,2-a]pyridin-4-ium bromide
CID 139600055
Methyl 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]pyridine-2-carboxylate
CID 71913573
(5-Methoxy-3-pyridinyl)methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 166359883
[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]methyl 3-ethoxypyridine-2-carboxylate
CID 167851382
Ethyl 2-[2-(pyridin-4-ylmethoxy)phenyl]-1,3-thiazole-4-carboxylate
CID 18508186

Frequently Asked Questions

What is the IUPAC name of methyl 7-[[4-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate?
The IUPAC name of methyl 7-[[4-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate (CID 142503606) is methyl 7-[[4-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 7-[[4-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 7-[[4-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate is COC(=O)c1cc(Cc2ccc(-c3ncc(C)s3)cc2)c2c(n1)CCO2.
What is the InChIKey of methyl 7-[[4-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate?
The InChIKey is PAWPMTFWWTWNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-12-11-21-19(26-12)14-5-3-13(4-6-14)9-15-10-17(20(23)24-2)22-16-7-8-25-18(15)16/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of methyl 7-[[4-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate?
methyl 7-[[4-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate has a molecular weight of 366.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[[4-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate is sourced from PubChem (CID 142503606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).