N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxopropyl]-2-chlorobenzamide

C19H18ClN3O2S — CID 9372601

IUPACN-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxopropyl]-2-chlorobenzamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H18ClN3O2S/c1-23(12-17-22-15-8-4-5-9-16(15)26-17)18(24)10-11-21-19(25)13-6-2-3-7-14(13)20/h2-9H,10-12H2,1H3,(H,21,25)
InChIKeyJABGTYKXRWHBQK-UHFFFAOYSA-N
MW387.89 g/mol
LogP3.73
Rot. Bonds6

About N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxopropyl]-2-chlorobenzamide

N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxopropyl]-2-chlorobenzamide (PubChem CID 9372601) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxopropyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxopropyl]-2-chlorobenzamide
PubChem CID9372601
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxopropyl]-2-chlorobenzamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H18ClN3O2S/c1-23(12-17-22-15-8-4-5-9-16(15)26-17)18(24)10-11-21-19(25)13-6-2-3-7-14(13)20/h2-9H,10-12H2,1H3,(H,21,25)
InChIKeyJABGTYKXRWHBQK-UHFFFAOYSA-N
XLogP3.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxopropyl]-2-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-3-chloro-N-methylpropanamide
CID 43346972
N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxopropan-2-yl]-2-chlorobenzamide
CID 9392331
N-(1,3-benzothiazol-2-ylmethyl)-3-(cyclohexylcarbamoylamino)-N-methylpropanamide
CID 18146723
2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 8843695
N-[1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 55389624
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24549976
N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 60672956
N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide
CID 16606856
1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-1-methylurea
CID 47128028
N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-fluoro-N-methylbenzamide
CID 41440557
N-(1,3-benzothiazol-2-ylmethyl)-3-[(4-tert-butylphenyl)sulfonylamino]-N-methylpropanamide
CID 24549974
3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoic acid
CID 13285746

Frequently Asked Questions

What is the IUPAC name of N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxopropyl]-2-chlorobenzamide?
The IUPAC name of N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxopropyl]-2-chlorobenzamide (CID 9372601) is N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxopropyl]-2-chlorobenzamide.
What is the SMILES notation for N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxopropyl]-2-chlorobenzamide?
The canonical SMILES for N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxopropyl]-2-chlorobenzamide is CN(Cc1nc2ccccc2s1)C(=O)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxopropyl]-2-chlorobenzamide?
The InChIKey is JABGTYKXRWHBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-23(12-17-22-15-8-4-5-9-16(15)26-17)18(24)10-11-21-19(25)13-6-2-3-7-14(13)20/h2-9H,10-12H2,1H3,(H,21,25).
What are the key properties of N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxopropyl]-2-chlorobenzamide?
N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxopropyl]-2-chlorobenzamide has a molecular weight of 387.89 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxopropyl]-2-chlorobenzamide is sourced from PubChem (CID 9372601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).