propyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate

C18H16N2O4S — CID 36744455

IUPACpropyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2csc(-c3ccco3)n2)cc1
InChIInChI=1S/C18H16N2O4S/c1-2-9-24-18(22)12-5-7-13(8-6-12)19-16(21)14-11-25-17(20-14)15-4-3-10-23-15/h3-8,10-11H,2,9H2,1H3,(H,19,21)
InChIKeyBXIDSUMDSIJXAT-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.22
Rot. Bonds6

About propyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate

propyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate (PubChem CID 36744455) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is propyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate
PubChem CID36744455
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Namepropyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2csc(-c3ccco3)n2)cc1
InChIInChI=1S/C18H16N2O4S/c1-2-9-24-18(22)12-5-7-13(8-6-12)19-16(21)14-11-25-17(20-14)15-4-3-10-23-15/h3-8,10-11H,2,9H2,1H3,(H,19,21)
InChIKeyBXIDSUMDSIJXAT-UHFFFAOYSA-N
XLogP4.22
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze propyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 36769984
N-ethoxy-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36767453
N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36817379
methyl 4-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]benzoate
CID 38021103
propyl 4-(pyridine-2-carbonylamino)benzoate
CID 17353106
propyl 4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate
CID 36801497
2-(furan-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 47045926
N-(3-fluorophenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36654704
2-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36703482
2-(furan-2-yl)-N-(5-propyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 115619787
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36862622
N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36709264

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate?
The IUPAC name of propyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate (CID 36744455) is propyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate?
The canonical SMILES for propyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2csc(-c3ccco3)n2)cc1.
What is the InChIKey of propyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate?
The InChIKey is BXIDSUMDSIJXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-2-9-24-18(22)12-5-7-13(8-6-12)19-16(21)14-11-25-17(20-14)15-4-3-10-23-15/h3-8,10-11H,2,9H2,1H3,(H,19,21).
What are the key properties of propyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate?
propyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate has a molecular weight of 356.40 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate is sourced from PubChem (CID 36744455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).