N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C26H33N3O3S — CID 24892410

IUPACN-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCN(CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2cc(OC)c(OC)cc2s1
InChIInChI=1S/C26H33N3O3S/c1-5-28(6-2)13-14-29(25(30)20-12-11-18-9-7-8-10-19(18)15-20)26-27-21-16-22(31-3)23(32-4)17-24(21)33-26/h11-12,15-17H,5-10,13-14H2,1-4H3
InChIKeyROPANXLLIIQKHB-UHFFFAOYSA-N
MW467.64 g/mol
LogP5.18
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 24892410) has the molecular formula C26H33N3O3S and a molecular weight of 467.64 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID24892410
Molecular FormulaC26H33N3O3S
Molecular Weight467.64 g/mol
Exact Mass467.22
IUPAC NameN-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCN(CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2cc(OC)c(OC)cc2s1
InChIInChI=1S/C26H33N3O3S/c1-5-28(6-2)13-14-29(25(30)20-12-11-18-9-7-8-10-19(18)15-20)26-27-21-16-22(31-3)23(32-4)17-24(21)33-26/h11-12,15-17H,5-10,13-14H2,1-4H3
InChIKeyROPANXLLIIQKHB-UHFFFAOYSA-N
XLogP5.18
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.64
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide 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

3-(6-Methoxy-1,3-benzothiazol-2-YL)-1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]urea
CID 20924372
N-[2-(Dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-YL)naphthalene-2-carboxamide hydrochloride
CID 24761864
N-[2-(Diethylamino)ethyl]-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-YL)naphthalene-2-carboxamide hydrochloride
CID 24761870
4-(amino(phenyl)methyl)-N-(6-methoxybenzo[d]thiazol-2-yl)benzamide
CID 91664349
(R)-4-(amino(phenyl)methyl)-N-(6-methoxybenzo[d]thiazol-2-yl)benzamide
CID 110876892
(S)-4-(amino(phenyl)methyl)-N-(6-methoxybenzo[d]thiazol-2-yl)benzamide
CID 110876919
N-(6-methoxybenzo[d]thiazol-2-yl)-4-(piperidine-1-carbonyl)benzamide
CID 117941178
N1-benzyl-N4-(6-methoxybenzo[d]thiazol-2-yl)terephthalamide
CID 117948128
3-(diethylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide
CID 2330660
(4-(6-Ethoxybenzo[d]thiazol-2-yl)piperazin-1-yl)(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 7292571
(4-(4,7-Dimethoxybenzo[d]thiazol-2-yl)piperazin-1-yl)(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 16032669
N-[2-(dimethylamino)ethyl]-4-(dimethylsulfamoyl)-N-{10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-yl}benzamide hydrochloride
CID 16189235

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 24892410) is N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CCN(CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2cc(OC)c(OC)cc2s1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is ROPANXLLIIQKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3S/c1-5-28(6-2)13-14-29(25(30)20-12-11-18-9-7-8-10-19(18)15-20)26-27-21-16-22(31-3)23(32-4)17-24(21)33-26/h11-12,15-17H,5-10,13-14H2,1-4H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 467.64 g/mol, XLogP of 5.18, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 24892410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).