N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide

C24H25N3O3S — CID 24761824

IUPACN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
SMILESCOc1cc2nc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)sc2cc1OC
InChIInChI=1S/C24H25N3O3S/c1-26(2)11-12-27(23(28)18-10-9-16-7-5-6-8-17(16)13-18)24-25-19-14-20(29-3)21(30-4)15-22(19)31-24/h5-10,13-15H,11-12H2,1-4H3
InChIKeyUJEUVXIWDKLGIO-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.68
Rot. Bonds7

About N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide (PubChem CID 24761824) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
PubChem CID24761824
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
SMILESCOc1cc2nc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)sc2cc1OC
InChIInChI=1S/C24H25N3O3S/c1-26(2)11-12-27(23(28)18-10-9-16-7-5-6-8-17(16)13-18)24-25-19-14-20(29-3)21(30-4)15-22(19)31-24/h5-10,13-15H,11-12H2,1-4H3
InChIKeyUJEUVXIWDKLGIO-UHFFFAOYSA-N
XLogP4.68
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide?
The IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide (CID 24761824) is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide is COc1cc2nc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)sc2cc1OC.
What is the InChIKey of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide?
The InChIKey is UJEUVXIWDKLGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-26(2)11-12-27(23(28)18-10-9-16-7-5-6-8-17(16)13-18)24-25-19-14-20(29-3)21(30-4)15-22(19)31-24/h5-10,13-15H,11-12H2,1-4H3.
What are the key properties of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide?
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 24761824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).