3-(1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)propanamide

C17H16N2O2S — CID 4014707

IUPAC3-(1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCc1nc2ccccc2s1
InChIInChI=1S/C17H16N2O2S/c1-21-14-8-4-2-6-12(14)18-16(20)10-11-17-19-13-7-3-5-9-15(13)22-17/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyMNYZAFCZSOUPNP-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.88
Rot. Bonds5

About 3-(1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)propanamide

3-(1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)propanamide (PubChem CID 4014707) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)propanamide
PubChem CID4014707
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCc1nc2ccccc2s1
InChIInChI=1S/C17H16N2O2S/c1-21-14-8-4-2-6-12(14)18-16(20)10-11-17-19-13-7-3-5-9-15(13)22-17/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyMNYZAFCZSOUPNP-UHFFFAOYSA-N
XLogP3.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)propanamide (CID 4014707) is 3-(1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCc1nc2ccccc2s1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)propanamide?
The InChIKey is MNYZAFCZSOUPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-21-14-8-4-2-6-12(14)18-16(20)10-11-17-19-13-7-3-5-9-15(13)22-17/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)propanamide?
3-(1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)propanamide has a molecular weight of 312.39 g/mol, XLogP of 3.88, 5 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-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 4014707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).