N-propyl-1,3-benzothiazole-6-carboxamide

C11H12N2OS — CID 2461237

IUPACN-propyl-1,3-benzothiazole-6-carboxamide
SMILESCCCNC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C11H12N2OS/c1-2-5-12-11(14)8-3-4-9-10(6-8)15-7-13-9/h3-4,6-7H,2,5H2,1H3,(H,12,14)
InChIKeyJFWSECLPGJUKKS-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.44
Rot. Bonds3

About N-propyl-1,3-benzothiazole-6-carboxamide

N-propyl-1,3-benzothiazole-6-carboxamide (PubChem CID 2461237) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is N-propyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-propyl-1,3-benzothiazole-6-carboxamide
PubChem CID2461237
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameN-propyl-1,3-benzothiazole-6-carboxamide
SMILESCCCNC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C11H12N2OS/c1-2-5-12-11(14)8-3-4-9-10(6-8)15-7-13-9/h3-4,6-7H,2,5H2,1H3,(H,12,14)
InChIKeyJFWSECLPGJUKKS-UHFFFAOYSA-N
XLogP2.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-propyl-1,3-benzothiazole-6-carboxamide (CID 2461237) is N-propyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-propyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-propyl-1,3-benzothiazole-6-carboxamide is CCCNC(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-propyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is JFWSECLPGJUKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-2-5-12-11(14)8-3-4-9-10(6-8)15-7-13-9/h3-4,6-7H,2,5H2,1H3,(H,12,14).
What are the key properties of N-propyl-1,3-benzothiazole-6-carboxamide?
N-propyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 220.30 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 2461237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).