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

C24H25N3O2S — CID 43961254

IUPACN-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)N(CCN(C)C)c1nc2ccccc2s1
InChIInChI=1S/C24H25N3O2S/c1-4-29-20-14-13-17-9-5-6-10-18(17)22(20)23(28)27(16-15-26(2)3)24-25-19-11-7-8-12-21(19)30-24/h5-14H,4,15-16H2,1-3H3
InChIKeyHSCSGRSAKFYFJK-UHFFFAOYSA-N
MW419.55 g/mol
LogP5.06
Rot. Bonds7

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

N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide (PubChem CID 43961254) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide
PubChem CID43961254
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)N(CCN(C)C)c1nc2ccccc2s1
InChIInChI=1S/C24H25N3O2S/c1-4-29-20-14-13-17-9-5-6-10-18(17)22(20)23(28)27(16-15-26(2)3)24-25-19-11-7-8-12-21(19)30-24/h5-14H,4,15-16H2,1-3H3
InChIKeyHSCSGRSAKFYFJK-UHFFFAOYSA-N
XLogP5.06
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide
CID 43961260
N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-ethoxynaphthalene-1-carboxamide
CID 43964764
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-ethoxynaphthalene-1-carboxamide
CID 43964758
N-[2-(dimethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 16808365
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide
CID 7577310
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 6487729
N-[2-(dimethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 7508018
N-(1,3-benzothiazol-2-yl)-3-chloro-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 44922652
N-(1,3-benzothiazol-2-yl)-N-butyl-2-ethoxybenzamide
CID 8012636
N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 43967066
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 44929489
N-[2-(dimethylamino)ethyl]-3,4-diethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 43961088

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide (CID 43961254) is N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)N(CCN(C)C)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide?
The InChIKey is HSCSGRSAKFYFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-4-29-20-14-13-17-9-5-6-10-18(17)22(20)23(28)27(16-15-26(2)3)24-25-19-11-7-8-12-21(19)30-24/h5-14H,4,15-16H2,1-3H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide is sourced from PubChem (CID 43961254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).