N-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide

C22H16FN3O2S2 — CID 55756086

IUPACN-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C22H16FN3O2S2/c23-17-9-7-15(8-10-17)18-13-30-22(25-18)26-20(27)16-5-3-14(4-6-16)12-24-21(28)19-2-1-11-29-19/h1-11,13H,12H2,(H,24,28)(H,25,26,27)
InChIKeyLHAZDDSJGGHJIL-UHFFFAOYSA-N
MW437.52 g/mol
LogP5.19
Rot. Bonds6

About N-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide

N-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 55756086) has the molecular formula C22H16FN3O2S2 and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID55756086
Molecular FormulaC22H16FN3O2S2
Molecular Weight437.52 g/mol
Exact Mass437.07
IUPAC NameN-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C22H16FN3O2S2/c23-17-9-7-15(8-10-17)18-13-30-22(25-18)26-20(27)16-5-3-14(4-6-16)12-24-21(28)19-2-1-11-29-19/h1-11,13H,12H2,(H,24,28)(H,25,26,27)
InChIKeyLHAZDDSJGGHJIL-UHFFFAOYSA-N
XLogP5.19
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.52
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[[4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55760102
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
CID 46629026
4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46820023
N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17410318
4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 42568023
4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761184
N-[4-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 60535660
4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41228449
[4-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108739741
4-(ethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 78828085

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 55756086) is N-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide is O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is LHAZDDSJGGHJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2S2/c23-17-9-7-15(8-10-17)18-13-30-22(25-18)26-20(27)16-5-3-14(4-6-16)12-24-21(28)19-2-1-11-29-19/h1-11,13H,12H2,(H,24,28)(H,25,26,27).
What are the key properties of N-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55756086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).