N-[2-(dimethylamino)ethyl]-2-iodo-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide

C19H20IN3O2S — CID 41344324

IUPACN-[2-(dimethylamino)ethyl]-2-iodo-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2sc(N(CCN(C)C)C(=O)c3ccccc3I)nc2c1
InChIInChI=1S/C19H20IN3O2S/c1-22(2)10-11-23(18(24)14-6-4-5-7-15(14)20)19-21-16-12-13(25-3)8-9-17(16)26-19/h4-9,12H,10-11H2,1-3H3
InChIKeySJBFEJSCSCBPMX-UHFFFAOYSA-N
MW481.36 g/mol
LogP4.12
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-iodo-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide

N-[2-(dimethylamino)ethyl]-2-iodo-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41344324) 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-(5-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-iodo-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID41344324
Molecular FormulaC19H20IN3O2S
Molecular Weight481.36 g/mol
Exact Mass481.03
IUPAC NameN-[2-(dimethylamino)ethyl]-2-iodo-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2sc(N(CCN(C)C)C(=O)c3ccccc3I)nc2c1
InChIInChI=1S/C19H20IN3O2S/c1-22(2)10-11-23(18(24)14-6-4-5-7-15(14)20)19-21-16-12-13(25-3)8-9-17(16)26-19/h4-9,12H,10-11H2,1-3H3
InChIKeySJBFEJSCSCBPMX-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'}

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Related Compounds

N-[3-(dimethylamino)propyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 7512619
N-[3-(dimethylamino)propyl]-3-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 41348203
N-[2-(diethylamino)ethyl]-2-iodo-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41344958
N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 7510713
N-[2-(dimethylamino)ethyl]-2-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41343708
N-[2-(dimethylamino)ethyl]-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7507384
N-[2-(dimethylamino)ethyl]-2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7507382
N-[2-(dimethylamino)ethyl]-4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7510633
N-[3-(dimethylamino)propyl]-4-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7512597
N-[2-(diethylamino)ethyl]-2-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7511805
2-chloro-N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7511771
N-[2-(dimethylamino)ethyl]-3-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 18563836

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-iodo-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-iodo-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 41344324) is N-[2-(dimethylamino)ethyl]-2-iodo-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-iodo-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-iodo-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2sc(N(CCN(C)C)C(=O)c3ccccc3I)nc2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-iodo-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is SJBFEJSCSCBPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20IN3O2S/c1-22(2)10-11-23(18(24)14-6-4-5-7-15(14)20)19-21-16-12-13(25-3)8-9-17(16)26-19/h4-9,12H,10-11H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-iodo-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?
N-[2-(dimethylamino)ethyl]-2-iodo-N-(5-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-(5-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41344324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).