methyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate

C19H17N3O5S — CID 42208461

IUPACmethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CCc2csc(NC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C19H17N3O5S/c1-26-18(25)12-4-6-13(7-5-12)20-16(23)9-8-14-11-28-19(21-14)22-17(24)15-3-2-10-27-15/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyGMTRBGWFXHORGM-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.35
Rot. Bonds7

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

methyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate (PubChem CID 42208461) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is methyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate
PubChem CID42208461
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Namemethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CCc2csc(NC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C19H17N3O5S/c1-26-18(25)12-4-6-13(7-5-12)20-16(23)9-8-14-11-28-19(21-14)22-17(24)15-3-2-10-27-15/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyGMTRBGWFXHORGM-UHFFFAOYSA-N
XLogP3.35
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate with MolForge

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Related Compounds

N-[4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208460
N-[4-[3-oxo-3-(4-sulfamoylanilino)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208479
N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208452
N-[4-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208778
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17450354
N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208780
4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656079
N-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27256446
methyl 4-[[2-(2-acetamido-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 41227458
ethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate
CID 42208796
N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
CID 42208842

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate?
The IUPAC name of methyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate (CID 42208461) is methyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate.
What is the SMILES notation for methyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate?
The canonical SMILES for methyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate is COC(=O)c1ccc(NC(=O)CCc2csc(NC(=O)c3ccco3)n2)cc1.
What is the InChIKey of methyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate?
The InChIKey is GMTRBGWFXHORGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c1-26-18(25)12-4-6-13(7-5-12)20-16(23)9-8-14-11-28-19(21-14)22-17(24)15-3-2-10-27-15/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of methyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate?
methyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate has a molecular weight of 399.43 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate is sourced from PubChem (CID 42208461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).