N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide chloride

C24H27ClN3O3S- — CID 53352868

IUPACN-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide chloride
SMILESCN(C)CCCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2cc3c(cc2s1)OCO3.[Cl-]
InChIInChI=1S/C24H27N3O3S.ClH/c1-26(2)10-5-11-27(23(28)18-9-8-16-6-3-4-7-17(16)12-18)24-25-19-13-20-21(30-15-29-20)14-22(19)31-24;/h8-9,12-14H,3-7,10-11,15H2,1-2H3;1H/p-1
InChIKeyQBELLQANYUDETG-UHFFFAOYSA-M
MW473.02 g/mol
LogP1.51
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide chloride

N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide chloride (PubChem CID 53352868) has the molecular formula C24H27ClN3O3S- and a molecular weight of 473.02 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide chloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide chloride
PubChem CID53352868
Molecular FormulaC24H27ClN3O3S-
Molecular Weight473.02 g/mol
Exact Mass472.15
IUPAC NameN-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide chloride
SMILESCN(C)CCCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2cc3c(cc2s1)OCO3.[Cl-]
InChIInChI=1S/C24H27N3O3S.ClH/c1-26(2)10-5-11-27(23(28)18-9-8-16-6-3-4-7-17(16)12-18)24-25-19-13-20-21(30-15-29-20)14-22(19)31-24;/h8-9,12-14H,3-7,10-11,15H2,1-2H3;1H/p-1
InChIKeyQBELLQANYUDETG-UHFFFAOYSA-M
XLogP1.51
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.02
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24892584
N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 12006046
methyl 4-[3-(dimethylamino)propyl-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)carbamoyl]benzoate;hydrochloride
CID 44930618
N-[2-(diethylamino)ethyl]-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 41345955
4-benzoyl-N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide;hydrochloride
CID 24892069
N-[2-(dimethylamino)ethyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide chloride
CID 53352865
3-bromo-N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide;hydrochloride
CID 44930586
N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-(trifluoromethyl)benzamide
CID 18564029
N-[2-(dimethylamino)ethyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)naphthalene-2-carboxamide;hydrochloride
CID 44924089
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-methylbenzamide;hydrochloride
CID 44930667
N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3,5-dinitrobenzamide;hydrochloride
CID 44930653
N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 24892085

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide chloride?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide chloride (CID 53352868) is N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide chloride.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide chloride?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide chloride is CN(C)CCCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2cc3c(cc2s1)OCO3.[Cl-].
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide chloride?
The InChIKey is QBELLQANYUDETG-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H27N3O3S.ClH/c1-26(2)10-5-11-27(23(28)18-9-8-16-6-3-4-7-17(16)12-18)24-25-19-13-20-21(30-15-29-20)14-22(19)31-24;/h8-9,12-14H,3-7,10-11,15H2,1-2H3;1H/p-1.
What are the key properties of N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide chloride?
N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide chloride has a molecular weight of 473.02 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide chloride is sourced from PubChem (CID 53352868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).