methyl 2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate

C18H13FN2O4S — CID 39725906

IUPACmethyl 2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)/C=C/c2ccc(-c3ccccc3F)o2)s1
InChIInChI=1S/C18H13FN2O4S/c1-24-17(23)15-10-20-18(26-15)21-16(22)9-7-11-6-8-14(25-11)12-4-2-3-5-13(12)19/h2-10H,1H3,(H,20,21,22)/b9-7+
InChIKeyXFOUVBSWZULSLX-VQHVLOKHSA-N
MW372.38 g/mol
LogP3.98
Rot. Bonds5

About methyl 2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate

methyl 2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 39725906) has the molecular formula C18H13FN2O4S and a molecular weight of 372.38 g/mol. Its IUPAC name is methyl 2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID39725906
Molecular FormulaC18H13FN2O4S
Molecular Weight372.38 g/mol
Exact Mass372.06
IUPAC Namemethyl 2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)/C=C/c2ccc(-c3ccccc3F)o2)s1
InChIInChI=1S/C18H13FN2O4S/c1-24-17(23)15-10-20-18(26-15)21-16(22)9-7-11-6-8-14(25-11)12-4-2-3-5-13(12)19/h2-10H,1H3,(H,20,21,22)/b9-7+
InChIKeyXFOUVBSWZULSLX-VQHVLOKHSA-N
XLogP3.98
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

methyl (2R)-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-3-hydroxypropanoate
CID 9278098
N-cyclopentyl-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]benzamide
CID 16558973
N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 71899302
(E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one
CID 9185084
methyl 2-(3-methylbut-2-enoylamino)-1,3-thiazole-5-carboxylate
CID 30709011
1-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9428126
[(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate
CID 9385177
N'-[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]furan-2-carbohydrazide
CID 9428099
(E)-N'-[2-(4-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 9140747
(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 9428386
(E)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 17335801
methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 17415241

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate (CID 39725906) is methyl 2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)/C=C/c2ccc(-c3ccccc3F)o2)s1.
What is the InChIKey of methyl 2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is XFOUVBSWZULSLX-VQHVLOKHSA-N. The full InChI is InChI=1S/C18H13FN2O4S/c1-24-17(23)15-10-20-18(26-15)21-16(22)9-7-11-6-8-14(25-11)12-4-2-3-5-13(12)19/h2-10H,1H3,(H,20,21,22)/b9-7+.
What are the key properties of methyl 2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate?
methyl 2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 372.38 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 39725906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).