N-[2-(dimethylamino)ethyl]-2-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide

C19H20IN3O2S — CID 41343708

IUPACN-[2-(dimethylamino)ethyl]-2-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cccc2sc(N(CCN(C)C)C(=O)c3ccccc3I)nc12
InChIInChI=1S/C19H20IN3O2S/c1-22(2)11-12-23(18(24)13-7-4-5-8-14(13)20)19-21-17-15(25-3)9-6-10-16(17)26-19/h4-10H,11-12H2,1-3H3
InChIKeyYSIFCJJFMSFYAK-UHFFFAOYSA-N
MW481.36 g/mol
LogP4.12
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide

N-[2-(dimethylamino)ethyl]-2-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41343708) has the molecular formula C19H20IN3O2S and a molecular weight of 481.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID41343708
Molecular FormulaC19H20IN3O2S
Molecular Weight481.36 g/mol
Exact Mass481.03
IUPAC NameN-[2-(dimethylamino)ethyl]-2-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cccc2sc(N(CCN(C)C)C(=O)c3ccccc3I)nc12
InChIInChI=1S/C19H20IN3O2S/c1-22(2)11-12-23(18(24)13-7-4-5-8-14(13)20)19-21-17-15(25-3)9-6-10-16(17)26-19/h4-10H,11-12H2,1-3H3
InChIKeyYSIFCJJFMSFYAK-UHFFFAOYSA-N
XLogP4.12
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.36
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)ethyl]-2-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide 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-[2-(dimethylamino)ethyl]-2-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7507934
N-[2-(dimethylamino)ethyl]-2-iodo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44946390
N-[2-(dimethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 7508013
N-[3-(dimethylamino)propyl]-2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7512342
N-[2-(dimethylamino)ethyl]-2-iodo-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41344324
N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide;hydrochloride
CID 44930384
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide;hydrochloride
CID 44924846
N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 44923696
4-bromo-N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44923636
N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride
CID 44923699
N-[2-(dimethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 7508018
5-chloro-N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
CID 18563786

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 41343708) is N-[2-(dimethylamino)ethyl]-2-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1cccc2sc(N(CCN(C)C)C(=O)c3ccccc3I)nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is YSIFCJJFMSFYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20IN3O2S/c1-22(2)11-12-23(18(24)13-7-4-5-8-14(13)20)19-21-17-15(25-3)9-6-10-16(17)26-19/h4-10H,11-12H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
N-[2-(dimethylamino)ethyl]-2-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 481.36 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41343708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).