N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide

C24H24ClN3O2S — CID 43961260

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)N(CCN(C)C)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C24H24ClN3O2S/c1-4-30-20-12-9-16-7-5-6-8-18(16)22(20)23(29)28(14-13-27(2)3)24-26-19-11-10-17(25)15-21(19)31-24/h5-12,15H,4,13-14H2,1-3H3
InChIKeyHOQKEOSGDZKPMN-UHFFFAOYSA-N
MW454.00 g/mol
LogP5.71
Rot. Bonds7

About N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide (PubChem CID 43961260) has the molecular formula C24H24ClN3O2S and a molecular weight of 454.00 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide
PubChem CID43961260
Molecular FormulaC24H24ClN3O2S
Molecular Weight454.00 g/mol
Exact Mass453.13
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)N(CCN(C)C)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C24H24ClN3O2S/c1-4-30-20-12-9-16-7-5-6-8-18(16)22(20)23(29)28(14-13-27(2)3)24-26-19-11-10-17(25)15-21(19)31-24/h5-12,15H,4,13-14H2,1-3H3
InChIKeyHOQKEOSGDZKPMN-UHFFFAOYSA-N
XLogP5.71
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.00
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide
CID 43961254
N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 43967066
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-ethoxynaphthalene-1-carboxamide
CID 43964758
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-methylbenzamide
CID 7507632
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide
CID 43963640
N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-ethoxynaphthalene-1-carboxamide
CID 43964764
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;hydrochloride
CID 16808305
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1,3-benzothiazole-2-carboxamide
CID 7208073
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide;hydrochloride
CID 44929934
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 43958599
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4-ethoxyphenoxy)acetamide
CID 43964795
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethylsulfanylbenzamide;hydrochloride
CID 44928001

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide (CID 43961260) is N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)N(CCN(C)C)c1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide?
The InChIKey is HOQKEOSGDZKPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2S/c1-4-30-20-12-9-16-7-5-6-8-18(16)22(20)23(29)28(14-13-27(2)3)24-26-19-11-10-17(25)15-21(19)31-24/h5-12,15H,4,13-14H2,1-3H3.
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide has a molecular weight of 454.00 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide is sourced from PubChem (CID 43961260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).