N-(2-phenyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide

C18H12N2OS2 — CID 130270093

IUPACN-(2-phenyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2sc(-c3ccccc3)nc2c1)c1cccs1
InChIInChI=1S/C18H12N2OS2/c21-17(16-7-4-10-22-16)19-13-8-9-15-14(11-13)20-18(23-15)12-5-2-1-3-6-12/h1-11H,(H,19,21)
InChIKeyVDHUFHKBONQORZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.28
Rot. Bonds3

About N-(2-phenyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide

N-(2-phenyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide (PubChem CID 130270093) has the molecular formula C18H12N2OS2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(2-phenyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide
PubChem CID130270093
Molecular FormulaC18H12N2OS2
Molecular Weight336.44 g/mol
Exact Mass336.04
IUPAC NameN-(2-phenyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2sc(-c3ccccc3)nc2c1)c1cccs1
InChIInChI=1S/C18H12N2OS2/c21-17(16-7-4-10-22-16)19-13-8-9-15-14(11-13)20-18(23-15)12-5-2-1-3-6-12/h1-11H,(H,19,21)
InChIKeyVDHUFHKBONQORZ-UHFFFAOYSA-N
XLogP5.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-phenyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide (CID 130270093) is N-(2-phenyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-phenyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-phenyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide is O=C(Nc1ccc2sc(-c3ccccc3)nc2c1)c1cccs1.
What is the InChIKey of N-(2-phenyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide?
The InChIKey is VDHUFHKBONQORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS2/c21-17(16-7-4-10-22-16)19-13-8-9-15-14(11-13)20-18(23-15)12-5-2-1-3-6-12/h1-11H,(H,19,21).
What are the key properties of N-(2-phenyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide?
N-(2-phenyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 130270093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).