N,5-dimethyl-N-propyl-1,2-benzothiazole-3-carboxamide

C13H16N2OS — CID 53015451

IUPACN,5-dimethyl-N-propyl-1,2-benzothiazole-3-carboxamide
SMILESCCCN(C)C(=O)c1nsc2ccc(C)cc12
InChIInChI=1S/C13H16N2OS/c1-4-7-15(3)13(16)12-10-8-9(2)5-6-11(10)17-14-12/h5-6,8H,4,7H2,1-3H3
InChIKeyCNWMKUMRESSEDF-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.09
Rot. Bonds3

About N,5-dimethyl-N-propyl-1,2-benzothiazole-3-carboxamide

N,5-dimethyl-N-propyl-1,2-benzothiazole-3-carboxamide (PubChem CID 53015451) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N,5-dimethyl-N-propyl-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-propyl-1,2-benzothiazole-3-carboxamide
PubChem CID53015451
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN,5-dimethyl-N-propyl-1,2-benzothiazole-3-carboxamide
SMILESCCCN(C)C(=O)c1nsc2ccc(C)cc12
InChIInChI=1S/C13H16N2OS/c1-4-7-15(3)13(16)12-10-8-9(2)5-6-11(10)17-14-12/h5-6,8H,4,7H2,1-3H3
InChIKeyCNWMKUMRESSEDF-UHFFFAOYSA-N
XLogP3.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-propyl-1,2-benzothiazole-3-carboxamide?
The IUPAC name of N,5-dimethyl-N-propyl-1,2-benzothiazole-3-carboxamide (CID 53015451) is N,5-dimethyl-N-propyl-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-propyl-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for N,5-dimethyl-N-propyl-1,2-benzothiazole-3-carboxamide is CCCN(C)C(=O)c1nsc2ccc(C)cc12.
What is the InChIKey of N,5-dimethyl-N-propyl-1,2-benzothiazole-3-carboxamide?
The InChIKey is CNWMKUMRESSEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-4-7-15(3)13(16)12-10-8-9(2)5-6-11(10)17-14-12/h5-6,8H,4,7H2,1-3H3.
What are the key properties of N,5-dimethyl-N-propyl-1,2-benzothiazole-3-carboxamide?
N,5-dimethyl-N-propyl-1,2-benzothiazole-3-carboxamide has a molecular weight of 248.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-propyl-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 53015451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).