3-(1,3-benzothiazol-2-yl)-1-benzothiophene-5-carboxamide

C16H10N2OS2 — CID 146346348

IUPAC3-(1,3-benzothiazol-2-yl)-1-benzothiophene-5-carboxamide
SMILESNC(=O)c1ccc2scc(-c3nc4ccccc4s3)c2c1
InChIInChI=1S/C16H10N2OS2/c17-15(19)9-5-6-13-10(7-9)11(8-20-13)16-18-12-3-1-2-4-14(12)21-16/h1-8H,(H2,17,19)
InChIKeyLEBGDYDUJQWIBC-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.28
Rot. Bonds2

About 3-(1,3-benzothiazol-2-yl)-1-benzothiophene-5-carboxamide

3-(1,3-benzothiazol-2-yl)-1-benzothiophene-5-carboxamide (PubChem CID 146346348) has the molecular formula C16H10N2OS2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-1-benzothiophene-5-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-1-benzothiophene-5-carboxamide
PubChem CID146346348
Molecular FormulaC16H10N2OS2
Molecular Weight310.40 g/mol
Exact Mass310.02
IUPAC Name3-(1,3-benzothiazol-2-yl)-1-benzothiophene-5-carboxamide
SMILESNC(=O)c1ccc2scc(-c3nc4ccccc4s3)c2c1
InChIInChI=1S/C16H10N2OS2/c17-15(19)9-5-6-13-10(7-9)11(8-20-13)16-18-12-3-1-2-4-14(12)21-16/h1-8H,(H2,17,19)
InChIKeyLEBGDYDUJQWIBC-UHFFFAOYSA-N
XLogP4.28
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzothiazol-2-yl)benzamide
CID 28689293
4-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)sulfonylbenzamide
CID 142784637
3-(1,3-benzothiazol-2-yl)-4-hydroxybenzoic acid
CID 141481149
1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone
CID 11821106
3-(1,3-benzothiazol-2-ylamino)benzamide
CID 103602868
4-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-methylbenzamide
CID 123563775
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromobenzamide
CID 2067806
N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 3839053
[2-(1,3-benzothiazol-2-yl)phenyl]-(4-fluorophenyl)methanone
CID 132514009
[2-(1,3-benzothiazol-2-yl)phenyl] naphthalene-2-carboxylate
CID 7936337
4-amino-N-[4-[(4-aminobenzoyl)amino]-3-(1,3-benzothiazol-2-yl)phenyl]benzamide
CID 5068021
4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide
CID 26181585

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-1-benzothiophene-5-carboxamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-1-benzothiophene-5-carboxamide (CID 146346348) is 3-(1,3-benzothiazol-2-yl)-1-benzothiophene-5-carboxamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-1-benzothiophene-5-carboxamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-1-benzothiophene-5-carboxamide is NC(=O)c1ccc2scc(-c3nc4ccccc4s3)c2c1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-1-benzothiophene-5-carboxamide?
The InChIKey is LEBGDYDUJQWIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2OS2/c17-15(19)9-5-6-13-10(7-9)11(8-20-13)16-18-12-3-1-2-4-14(12)21-16/h1-8H,(H2,17,19).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-1-benzothiophene-5-carboxamide?
3-(1,3-benzothiazol-2-yl)-1-benzothiophene-5-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-1-benzothiophene-5-carboxamide is sourced from PubChem (CID 146346348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).