methyl 3-(furan-2-yl)-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]benzoate

C19H18N2O4S — CID 68671684

IUPACmethyl 3-(furan-2-yl)-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]benzoate
SMILESCOC(=O)c1cc(C(=O)NC(C)c2nc(C)cs2)cc(-c2ccco2)c1
InChIInChI=1S/C19H18N2O4S/c1-11-10-26-18(20-11)12(2)21-17(22)14-7-13(16-5-4-6-25-16)8-15(9-14)19(23)24-3/h4-10,12H,1-3H3,(H,21,22)
InChIKeyXYSQPDDCPRXVJF-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.99
Rot. Bonds5

About methyl 3-(furan-2-yl)-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]benzoate

methyl 3-(furan-2-yl)-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]benzoate (PubChem CID 68671684) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is methyl 3-(furan-2-yl)-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-(furan-2-yl)-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]benzoate
PubChem CID68671684
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Namemethyl 3-(furan-2-yl)-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]benzoate
SMILESCOC(=O)c1cc(C(=O)NC(C)c2nc(C)cs2)cc(-c2ccco2)c1
InChIInChI=1S/C19H18N2O4S/c1-11-10-26-18(20-11)12(2)21-17(22)14-7-13(16-5-4-6-25-16)8-15(9-14)19(23)24-3/h4-10,12H,1-3H3,(H,21,22)
InChIKeyXYSQPDDCPRXVJF-UHFFFAOYSA-N
XLogP3.99
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dihydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103956894
5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 104607651
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-6-carboxamide
CID 63022253
4-fluoro-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702418
5-(3-aminoprop-1-ynyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 79684443
N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 126788727
3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 95894287
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 90651513
[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23916050
4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103642131
methyl 3-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]benzoate
CID 84566051
3-(furan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid
CID 82026638

Frequently Asked Questions

What is the IUPAC name of methyl 3-(furan-2-yl)-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]benzoate?
The IUPAC name of methyl 3-(furan-2-yl)-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]benzoate (CID 68671684) is methyl 3-(furan-2-yl)-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]benzoate.
What is the SMILES notation for methyl 3-(furan-2-yl)-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]benzoate?
The canonical SMILES for methyl 3-(furan-2-yl)-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]benzoate is COC(=O)c1cc(C(=O)NC(C)c2nc(C)cs2)cc(-c2ccco2)c1.
What is the InChIKey of methyl 3-(furan-2-yl)-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]benzoate?
The InChIKey is XYSQPDDCPRXVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-11-10-26-18(20-11)12(2)21-17(22)14-7-13(16-5-4-6-25-16)8-15(9-14)19(23)24-3/h4-10,12H,1-3H3,(H,21,22).
What are the key properties of methyl 3-(furan-2-yl)-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]benzoate?
methyl 3-(furan-2-yl)-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]benzoate has a molecular weight of 370.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(furan-2-yl)-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]benzoate is sourced from PubChem (CID 68671684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).