N-[4-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide

C20H13FN4O2S2 — CID 86942095

IUPACN-[4-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)ns1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C20H13FN4O2S2/c21-14-7-3-12(4-8-14)17-23-20(29-25-17)24-18(26)13-5-9-15(10-6-13)22-19(27)16-2-1-11-28-16/h1-11H,(H,22,27)(H,23,24,25,26)
InChIKeyKGUYMNNJYODDBG-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.91
Rot. Bonds5

About N-[4-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 86942095) has the molecular formula C20H13FN4O2S2 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[4-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID86942095
Molecular FormulaC20H13FN4O2S2
Molecular Weight424.48 g/mol
Exact Mass424.05
IUPAC NameN-[4-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)ns1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C20H13FN4O2S2/c21-14-7-3-12(4-8-14)17-23-20(29-25-17)24-18(26)13-5-9-15(10-6-13)22-19(27)16-2-1-11-28-16/h1-11H,(H,22,27)(H,23,24,25,26)
InChIKeyKGUYMNNJYODDBG-UHFFFAOYSA-N
XLogP4.91
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 972595
N-[1-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 86942096
N-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
CID 2203267
N-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55756086
4-(1,3-dithian-2-yl)-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 86942136
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-(3-methyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 17013680
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3151931
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 86942016
4-(4-fluorophenyl)-N-pyridin-4-ylbenzamide
CID 135137810
4-(cyclopropanecarbonylamino)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 55819988
N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047251

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 86942095) is N-[4-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is KGUYMNNJYODDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O2S2/c21-14-7-3-12(4-8-14)17-23-20(29-25-17)24-18(26)13-5-9-15(10-6-13)22-19(27)16-2-1-11-28-16/h1-11H,(H,22,27)(H,23,24,25,26).
What are the key properties of N-[4-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 86942095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).