5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

C13H9ClN2OS2 — CID 2330197

IUPAC5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCc1ccc2nc(NC(=O)c3ccc(Cl)s3)sc2c1
InChIInChI=1S/C13H9ClN2OS2/c1-7-2-3-8-10(6-7)19-13(15-8)16-12(17)9-4-5-11(14)18-9/h2-6H,1H3,(H,15,16,17)
InChIKeySMBUIMBHIVLXDM-UHFFFAOYSA-N
MW308.82 g/mol
LogP4.57
Rot. Bonds2

About 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 2330197) has the molecular formula C13H9ClN2OS2 and a molecular weight of 308.82 g/mol. Its IUPAC name is 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID2330197
Molecular FormulaC13H9ClN2OS2
Molecular Weight308.82 g/mol
Exact Mass307.98
IUPAC Name5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCc1ccc2nc(NC(=O)c3ccc(Cl)s3)sc2c1
InChIInChI=1S/C13H9ClN2OS2/c1-7-2-3-8-10(6-7)19-13(15-8)16-12(17)9-4-5-11(14)18-9/h2-6H,1H3,(H,15,16,17)
InChIKeySMBUIMBHIVLXDM-UHFFFAOYSA-N
XLogP4.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.82
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 2330197) is 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is Cc1ccc2nc(NC(=O)c3ccc(Cl)s3)sc2c1.
What is the InChIKey of 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is SMBUIMBHIVLXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS2/c1-7-2-3-8-10(6-7)19-13(15-8)16-12(17)9-4-5-11(14)18-9/h2-6H,1H3,(H,15,16,17).
What are the key properties of 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 308.82 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 2330197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).