N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)thiophene-2-carboxamide

C18H11FN2OS2 — CID 2356962

IUPACN-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(c1ccc(F)cc1)c1nc2ccccc2s1
InChIInChI=1S/C18H11FN2OS2/c19-12-7-9-13(10-8-12)21(17(22)16-6-3-11-23-16)18-20-14-4-1-2-5-15(14)24-18/h1-11H
InChIKeyLREJQXYQQOMGJC-UHFFFAOYSA-N
MW354.43 g/mol
LogP5.48
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)thiophene-2-carboxamide

N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 2356962) has the molecular formula C18H11FN2OS2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID2356962
Molecular FormulaC18H11FN2OS2
Molecular Weight354.43 g/mol
Exact Mass354.03
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(c1ccc(F)cc1)c1nc2ccccc2s1
InChIInChI=1S/C18H11FN2OS2/c19-12-7-9-13(10-8-12)21(17(22)16-6-3-11-23-16)18-20-14-4-1-2-5-15(14)24-18/h1-11H
InChIKeyLREJQXYQQOMGJC-UHFFFAOYSA-N
XLogP5.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.43
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)thiophene-2-carboxamide (CID 2356962) is N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)thiophene-2-carboxamide is O=C(c1cccs1)N(c1ccc(F)cc1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is LREJQXYQQOMGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2OS2/c19-12-7-9-13(10-8-12)21(17(22)16-6-3-11-23-16)18-20-14-4-1-2-5-15(14)24-18/h1-11H.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)thiophene-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 2356962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).