N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride

C23H28ClN3O2S — CID 24892179

IUPACN-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
SMILESCOc1cccc2sc(N(CCN(C)C)C(=O)c3ccc4c(c3)CCCC4)nc12.Cl
InChIInChI=1S/C23H27N3O2S.ClH/c1-25(2)13-14-26(23-24-21-19(28-3)9-6-10-20(21)29-23)22(27)18-12-11-16-7-4-5-8-17(16)15-18;/h6,9-12,15H,4-5,7-8,13-14H2,1-3H3;1H
InChIKeySJVROYKKEOZIRD-UHFFFAOYSA-N
MW446.02 g/mol
LogP4.81
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride

N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride (PubChem CID 24892179) has the molecular formula C23H28ClN3O2S and a molecular weight of 446.02 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
PubChem CID24892179
Molecular FormulaC23H28ClN3O2S
Molecular Weight446.02 g/mol
Exact Mass445.16
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
SMILESCOc1cccc2sc(N(CCN(C)C)C(=O)c3ccc4c(c3)CCCC4)nc12.Cl
InChIInChI=1S/C23H27N3O2S.ClH/c1-25(2)13-14-26(23-24-21-19(28-3)9-6-10-20(21)29-23)22(27)18-12-11-16-7-4-5-8-17(16)15-18;/h6,9-12,15H,4-5,7-8,13-14H2,1-3H3;1H
InChIKeySJVROYKKEOZIRD-UHFFFAOYSA-N
XLogP4.81
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.02
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride (CID 24892179) is N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride is COc1cccc2sc(N(CCN(C)C)C(=O)c3ccc4c(c3)CCCC4)nc12.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride?
The InChIKey is SJVROYKKEOZIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S.ClH/c1-25(2)13-14-26(23-24-21-19(28-3)9-6-10-20(21)29-23)22(27)18-12-11-16-7-4-5-8-17(16)15-18;/h6,9-12,15H,4-5,7-8,13-14H2,1-3H3;1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride?
N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride has a molecular weight of 446.02 g/mol, XLogP of 4.81, 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]-N-(4-methoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 24892179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).