3-(1,3-benzothiazol-2-yl)-N-methyl-N-phenylpropanamide

C17H16N2OS — CID 882278

IUPAC3-(1,3-benzothiazol-2-yl)-N-methyl-N-phenylpropanamide
SMILESCN(C(=O)CCc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C17H16N2OS/c1-19(13-7-3-2-4-8-13)17(20)12-11-16-18-14-9-5-6-10-15(14)21-16/h2-10H,11-12H2,1H3
InChIKeyHUUKRCCJBQDPPD-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.89
Rot. Bonds4

About 3-(1,3-benzothiazol-2-yl)-N-methyl-N-phenylpropanamide

3-(1,3-benzothiazol-2-yl)-N-methyl-N-phenylpropanamide (PubChem CID 882278) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-methyl-N-phenylpropanamide
PubChem CID882278
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-methyl-N-phenylpropanamide
SMILESCN(C(=O)CCc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C17H16N2OS/c1-19(13-7-3-2-4-8-13)17(20)12-11-16-18-14-9-5-6-10-15(14)21-16/h2-10H,11-12H2,1H3
InChIKeyHUUKRCCJBQDPPD-UHFFFAOYSA-N
XLogP3.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-methyl-N-phenylpropanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-methyl-N-phenylpropanamide (CID 882278) is 3-(1,3-benzothiazol-2-yl)-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-methyl-N-phenylpropanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-methyl-N-phenylpropanamide is CN(C(=O)CCc1nc2ccccc2s1)c1ccccc1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-methyl-N-phenylpropanamide?
The InChIKey is HUUKRCCJBQDPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-19(13-7-3-2-4-8-13)17(20)12-11-16-18-14-9-5-6-10-15(14)21-16/h2-10H,11-12H2,1H3.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-methyl-N-phenylpropanamide?
3-(1,3-benzothiazol-2-yl)-N-methyl-N-phenylpropanamide has a molecular weight of 296.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 882278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).