3-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylpropanamide

C15H13N3OS — CID 4879707

IUPAC3-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylpropanamide
SMILESO=C(CCc1nc2ccccc2s1)Nc1cccnc1
InChIInChI=1S/C15H13N3OS/c19-14(17-11-4-3-9-16-10-11)7-8-15-18-12-5-1-2-6-13(12)20-15/h1-6,9-10H,7-8H2,(H,17,19)
InChIKeyKMLPRSHTHSWMQR-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.26
Rot. Bonds4

About 3-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylpropanamide

3-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylpropanamide (PubChem CID 4879707) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylpropanamide
PubChem CID4879707
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylpropanamide
SMILESO=C(CCc1nc2ccccc2s1)Nc1cccnc1
InChIInChI=1S/C15H13N3OS/c19-14(17-11-4-3-9-16-10-11)7-8-15-18-12-5-1-2-6-13(12)20-15/h1-6,9-10H,7-8H2,(H,17,19)
InChIKeyKMLPRSHTHSWMQR-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Pyridinyl)benzothiazole
CID 12856
1-(6-((Benzo[d]thiazol-2-ylthio)methyl)pyridin-3-yl)-3,3-diethylazetidine-2,4-dione
CID 44627002
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
CID 2091523
3-(1,3-Benzothiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2095566
4-(1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 2119428
2-(Pyridin-2-ylsulfanylmethyl)-1,3-benzothiazole
CID 2417513
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide
CID 854758
2-Pyridin-4-yl-1,3-benzothiazole
CID 236319
N-(1,3-benzothiazol-2-yl)-2-(pyridin-2-ylsulfanyl)acetamide
CID 828855
4-(1,3-Benzothiazol-2-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2099902
3-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylpropanamide
CID 3242337

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylpropanamide (CID 4879707) is 3-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylpropanamide is O=C(CCc1nc2ccccc2s1)Nc1cccnc1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylpropanamide?
The InChIKey is KMLPRSHTHSWMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c19-14(17-11-4-3-9-16-10-11)7-8-15-18-12-5-1-2-6-13(12)20-15/h1-6,9-10H,7-8H2,(H,17,19).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylpropanamide?
3-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylpropanamide has a molecular weight of 283.36 g/mol, XLogP of 3.26, 4 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)-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 4879707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).