3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide

C16H15N3OS — CID 18107216

IUPAC3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CCc2nc3ccccc3s2)n1
InChIInChI=1S/C16H15N3OS/c1-11-5-4-8-14(17-11)19-15(20)9-10-16-18-12-6-2-3-7-13(12)21-16/h2-8H,9-10H2,1H3,(H,17,19,20)
InChIKeyPQARSLSTWGWTPF-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.57
Rot. Bonds4

About 3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide

3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 18107216) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID18107216
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CCc2nc3ccccc3s2)n1
InChIInChI=1S/C16H15N3OS/c1-11-5-4-8-14(17-11)19-15(20)9-10-16-18-12-6-2-3-7-13(12)21-16/h2-8H,9-10H2,1H3,(H,17,19,20)
InChIKeyPQARSLSTWGWTPF-UHFFFAOYSA-N
XLogP3.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide
CID 7964922
3-(1,3-benzothiazol-2-yl)-N-(1-methylpyrazol-3-yl)propanamide
CID 27161964
3-(1,3-benzothiazol-2-yl)-N-prop-2-ynylpropanamide
CID 27741117
3-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 24535645
3-(1,3-benzothiazol-2-yl)-N-[4-(dimethylamino)phenyl]propanamide
CID 17459361
3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 24641041
3-(1,3-benzothiazol-2-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7980639
3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 17493962
3-(1,3-benzothiazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 110902223
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 51277050
N-(4-amino-3,5-dichlorophenyl)-3-(1,3-benzothiazol-2-yl)propanamide
CID 27161149
5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide
CID 9039379

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide (CID 18107216) is 3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide is Cc1cccc(NC(=O)CCc2nc3ccccc3s2)n1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is PQARSLSTWGWTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-5-4-8-14(17-11)19-15(20)9-10-16-18-12-6-2-3-7-13(12)21-16/h2-8H,9-10H2,1H3,(H,17,19,20).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide?
3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 297.38 g/mol, XLogP of 3.57, 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-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 18107216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).