3-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide

C20H23N3OS — CID 4573285

IUPAC3-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide
SMILESCN(C)C(CNC(=O)CCc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C20H23N3OS/c1-23(2)17(15-8-4-3-5-9-15)14-21-19(24)12-13-20-22-16-10-6-7-11-18(16)25-20/h3-11,17H,12-14H2,1-2H3,(H,21,24)
InChIKeyZSKYNVFMVUNZBL-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.65
Rot. Bonds7

About 3-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide

3-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide (PubChem CID 4573285) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide
PubChem CID4573285
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide
SMILESCN(C)C(CNC(=O)CCc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C20H23N3OS/c1-23(2)17(15-8-4-3-5-9-15)14-21-19(24)12-13-20-22-16-10-6-7-11-18(16)25-20/h3-11,17H,12-14H2,1-2H3,(H,21,24)
InChIKeyZSKYNVFMVUNZBL-UHFFFAOYSA-N
XLogP3.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.65
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-(dimethylamino)-2-phenylethyl]propanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide (CID 4573285) is 3-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide is CN(C)C(CNC(=O)CCc1nc2ccccc2s1)c1ccccc1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide?
The InChIKey is ZSKYNVFMVUNZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-23(2)17(15-8-4-3-5-9-15)14-21-19(24)12-13-20-22-16-10-6-7-11-18(16)25-20/h3-11,17H,12-14H2,1-2H3,(H,21,24).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide?
3-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide has a molecular weight of 353.49 g/mol, XLogP of 3.65, 7 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-(dimethylamino)-2-phenylethyl]propanamide is sourced from PubChem (CID 4573285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).