methyl 5-[[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate

C18H15FN2O4S — CID 78861276

IUPACmethyl 5-[[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)c2csc(-c3ccc(F)cc3)n2)oc1C
InChIInChI=1S/C18H15FN2O4S/c1-10-14(18(23)24-2)7-13(25-10)8-20-16(22)15-9-26-17(21-15)11-3-5-12(19)6-4-11/h3-7,9H,8H2,1-2H3,(H,20,22)
InChIKeyBWLHUWUBFXGYAZ-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.57
Rot. Bonds5

About methyl 5-[[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 78861276) has the molecular formula C18H15FN2O4S and a molecular weight of 374.39 g/mol. Its IUPAC name is methyl 5-[[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate
PubChem CID78861276
Molecular FormulaC18H15FN2O4S
Molecular Weight374.39 g/mol
Exact Mass374.07
IUPAC Namemethyl 5-[[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)c2csc(-c3ccc(F)cc3)n2)oc1C
InChIInChI=1S/C18H15FN2O4S/c1-10-14(18(23)24-2)7-13(25-10)8-20-16(22)15-9-26-17(21-15)11-3-5-12(19)6-4-11/h3-7,9H,8H2,1-2H3,(H,20,22)
InChIKeyBWLHUWUBFXGYAZ-UHFFFAOYSA-N
XLogP3.57
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329
N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42865798
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24512523
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 78854756
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
methyl 2-[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 78814304
2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 167991505
N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443309
N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 51204736
N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9488971
2-[4-[(3,4-difluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46065856

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate (CID 78861276) is methyl 5-[[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CNC(=O)c2csc(-c3ccc(F)cc3)n2)oc1C.
What is the InChIKey of methyl 5-[[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is BWLHUWUBFXGYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S/c1-10-14(18(23)24-2)7-13(25-10)8-20-16(22)15-9-26-17(21-15)11-3-5-12(19)6-4-11/h3-7,9H,8H2,1-2H3,(H,20,22).
What are the key properties of methyl 5-[[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 374.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 78861276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).