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

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CID 2095566
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CID 2119428
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CID 2417513
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CID 900706
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CID 854758
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CID 236319
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CID 828855
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CID 2099902
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CID 3242337
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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).