methyl 2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C20H20N2O7S — CID 71754264

IUPACmethyl 2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)nc1C
InChIInChI=1S/C20H20N2O7S/c1-9-11-6-7-13(26-3)16(27-4)15(11)29-18(24)12(9)8-14(23)22-20-21-10(2)17(30-20)19(25)28-5/h6-7H,8H2,1-5H3,(H,21,22,23)
InChIKeyCUCPEPRTPKCZLE-UHFFFAOYSA-N
MW432.45 g/mol
LogP2.85
Rot. Bonds6

About methyl 2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 71754264) has the molecular formula C20H20N2O7S and a molecular weight of 432.45 g/mol. Its IUPAC name is methyl 2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID71754264
Molecular FormulaC20H20N2O7S
Molecular Weight432.45 g/mol
Exact Mass432.10
IUPAC Namemethyl 2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)nc1C
InChIInChI=1S/C20H20N2O7S/c1-9-11-6-7-13(26-3)16(27-4)15(11)29-18(24)12(9)8-14(23)22-20-21-10(2)17(30-20)19(25)28-5/h6-7H,8H2,1-5H3,(H,21,22,23)
InChIKeyCUCPEPRTPKCZLE-UHFFFAOYSA-N
XLogP2.85
TPSA116.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze methyl 2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

Ethyl 4-methyl-2-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}-1,3-thiazole-5-carboxylate
CID 1112735
N-(5-acetyl-4-methylthiazol-2-yl)-2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamide
CID 2967627
Methyl 4-methyl-2-({[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}amino)-1,3-thiazole-5-carboxylate
CID 2896390
(E)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 1647673
N-[4-(8-methoxy-2-oxo-2H-chromen-3-yl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 4100229
3,4,5-trimethoxy-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzamide
CID 5072613
4-Methyl-5-[3-(4-hydroxy-3,5-dimethoxyphenyl) acryloyl]-2-acetylaminothiazole
CID 159971524
2-(2-(2-(4,7-dimethyl-5-((2-methylallyl)oxy)-2-oxo-2H-chromen-3-yl)acetamido)thiazol-4-yl)acetic acid
CID 16422995
Ethyl 2-[3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4816967
methyl 2-[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 8820154
Ethyl 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84564020
Ethyl 2-[(3,4,5-triethoxybenzoyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84564022

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 71754264) is methyl 2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)nc1C.
What is the InChIKey of methyl 2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is CUCPEPRTPKCZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O7S/c1-9-11-6-7-13(26-3)16(27-4)15(11)29-18(24)12(9)8-14(23)22-20-21-10(2)17(30-20)19(25)28-5/h6-7H,8H2,1-5H3,(H,21,22,23).
What are the key properties of methyl 2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 432.45 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 71754264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).