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

C22H16FN3O2S2 — CID 55760102

IUPACN-[[4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C22H16FN3O2S2/c23-17-4-1-3-16(11-17)18-13-30-22(25-18)26-20(27)15-8-6-14(7-9-15)12-24-21(28)19-5-2-10-29-19/h1-11,13H,12H2,(H,24,28)(H,25,26,27)
InChIKeyMNZPTXWTUAZLNZ-UHFFFAOYSA-N
MW437.52 g/mol
LogP5.19
Rot. Bonds6

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

N-[[4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 55760102) has the molecular formula C22H16FN3O2S2 and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[[4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID55760102
Molecular FormulaC22H16FN3O2S2
Molecular Weight437.52 g/mol
Exact Mass437.07
IUPAC NameN-[[4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C22H16FN3O2S2/c23-17-4-1-3-16(11-17)18-13-30-22(25-18)26-20(27)15-8-6-14(7-9-15)12-24-21(28)19-5-2-10-29-19/h1-11,13H,12H2,(H,24,28)(H,25,26,27)
InChIKeyMNZPTXWTUAZLNZ-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-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55756086
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 36539422
N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide
CID 127047376
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide
CID 51112118
4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 36539746
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1179161
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 75451205
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 153338918
N-[4-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 60535660
2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 32622585
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35804756

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 55760102) is N-[[4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide is O=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccc(CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is MNZPTXWTUAZLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2S2/c23-17-4-1-3-16(11-17)18-13-30-22(25-18)26-20(27)15-8-6-14(7-9-15)12-24-21(28)19-5-2-10-29-19/h1-11,13H,12H2,(H,24,28)(H,25,26,27).
What are the key properties of N-[[4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[[4-(3-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-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55760102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).