N-(2-pyridin-3-ylethyl)-1,3-benzothiazole-6-carboxamide

C15H13N3OS — CID 31398756

IUPACN-(2-pyridin-3-ylethyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCCc1cccnc1)c1ccc2ncsc2c1
InChIInChI=1S/C15H13N3OS/c19-15(17-7-5-11-2-1-6-16-9-11)12-3-4-13-14(8-12)20-10-18-13/h1-4,6,8-10H,5,7H2,(H,17,19)
InChIKeyLDTHHHFCEZDSLO-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.66
Rot. Bonds4

About N-(2-pyridin-3-ylethyl)-1,3-benzothiazole-6-carboxamide

N-(2-pyridin-3-ylethyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 31398756) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-(2-pyridin-3-ylethyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-3-ylethyl)-1,3-benzothiazole-6-carboxamide
PubChem CID31398756
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC NameN-(2-pyridin-3-ylethyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCCc1cccnc1)c1ccc2ncsc2c1
InChIInChI=1S/C15H13N3OS/c19-15(17-7-5-11-2-1-6-16-9-11)12-3-4-13-14(8-12)20-10-18-13/h1-4,6,8-10H,5,7H2,(H,17,19)
InChIKeyLDTHHHFCEZDSLO-UHFFFAOYSA-N
XLogP2.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534
2-bromo-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 103752224
4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 67386076
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 112530316
N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24661254
4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104782485
N-[2-(3-methoxyphenyl)ethyl]-1,3-benzothiazole-5-carboxamide
CID 154802014
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1,3-benzothiazole-6-carboxamide
CID 9292042
3-methyl-4-(methylamino)-N-(2-pyridin-3-ylethyl)benzamide
CID 63210322
N-(3-pyrrol-1-ylpropyl)-1,3-benzothiazole-6-carboxamide
CID 90500517
N-[2-(5-acetylthiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 91817346

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylethyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-pyridin-3-ylethyl)-1,3-benzothiazole-6-carboxamide (CID 31398756) is N-(2-pyridin-3-ylethyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-pyridin-3-ylethyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-pyridin-3-ylethyl)-1,3-benzothiazole-6-carboxamide is O=C(NCCc1cccnc1)c1ccc2ncsc2c1.
What is the InChIKey of N-(2-pyridin-3-ylethyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is LDTHHHFCEZDSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c19-15(17-7-5-11-2-1-6-16-9-11)12-3-4-13-14(8-12)20-10-18-13/h1-4,6,8-10H,5,7H2,(H,17,19).
What are the key properties of N-(2-pyridin-3-ylethyl)-1,3-benzothiazole-6-carboxamide?
N-(2-pyridin-3-ylethyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylethyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 31398756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).