N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylacetamide

C20H22ClN3OS — CID 7512489

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylacetamide
SMILESCN(C)CCCN(C(=O)Cc1ccccc1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C20H22ClN3OS/c1-23(2)12-7-13-24(18(25)14-15-8-4-3-5-9-15)20-22-19-16(21)10-6-11-17(19)26-20/h3-6,8-11H,7,12-14H2,1-2H3
InChIKeyQRVYEZKTKFUIST-UHFFFAOYSA-N
MW387.94 g/mol
LogP4.48
Rot. Bonds7

About N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylacetamide

N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylacetamide (PubChem CID 7512489) has the molecular formula C20H22ClN3OS and a molecular weight of 387.94 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylacetamide
PubChem CID7512489
Molecular FormulaC20H22ClN3OS
Molecular Weight387.94 g/mol
Exact Mass387.12
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylacetamide
SMILESCN(C)CCCN(C(=O)Cc1ccccc1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C20H22ClN3OS/c1-23(2)12-7-13-24(18(25)14-15-8-4-3-5-9-15)20-22-19-16(21)10-6-11-17(19)26-20/h3-6,8-11H,7,12-14H2,1-2H3
InChIKeyQRVYEZKTKFUIST-UHFFFAOYSA-N
XLogP4.48
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.94
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 44930547
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 44931607
4-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 43963928
N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide chloride
CID 53351116
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide;hydrochloride
CID 16808818
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-1-carboxamide;hydrochloride
CID 44930542
N-[2-(dimethylamino)ethyl]-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 8702785
5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide
CID 43964602
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]cyclopentanecarboxamide
CID 43964658
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-ethoxybenzamide
CID 7208911
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-methylsulfanylbenzamide
CID 7580318
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylacetamide;hydrochloride
CID 44919608

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylacetamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylacetamide (CID 7512489) is N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylacetamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylacetamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylacetamide is CN(C)CCCN(C(=O)Cc1ccccc1)c1nc2c(Cl)cccc2s1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylacetamide?
The InChIKey is QRVYEZKTKFUIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3OS/c1-23(2)12-7-13-24(18(25)14-15-8-4-3-5-9-15)20-22-19-16(21)10-6-11-17(19)26-20/h3-6,8-11H,7,12-14H2,1-2H3.
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylacetamide?
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylacetamide has a molecular weight of 387.94 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylacetamide is sourced from PubChem (CID 7512489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).