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5-amino-N-methyl-8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide

C18H17N5O3S — CID 118660899

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-amino-N-methyl-8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide
SMILESCNC(=O)c1ccc2c(N)ncc(-c3ccc4c(c3)CS(=O)(=O)N4C)c2n1
InChIInChI=1S/C18H17N5O3S/c1-20-18(24)14-5-4-12-16(22-14)13(8-21-17(12)19)10-3-6-15-11(7-10)9-27(25,26)23(15)2/h3-8H,9H2,1-2H3,(H2,19,21)(H,20,24)
InChIKeyNIEXIIOGLJSOCT-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.52
Rot. Bonds2

About 5-amino-N-methyl-8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide

5-amino-N-methyl-8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide (PubChem CID 118660899) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is 5-amino-N-methyl-8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide
PubChem CID118660899
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name5-amino-N-methyl-8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide
SMILESCNC(=O)c1ccc2c(N)ncc(-c3ccc4c(c3)CS(=O)(=O)N4C)c2n1
InChIInChI=1S/C18H17N5O3S/c1-20-18(24)14-5-4-12-16(22-14)13(8-21-17(12)19)10-3-6-15-11(7-10)9-27(25,26)23(15)2/h3-8H,9H2,1-2H3,(H2,19,21)(H,20,24)
InChIKeyNIEXIIOGLJSOCT-UHFFFAOYSA-N
XLogP1.52
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 5-amino-N-methyl-8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide (CID 118660899) is 5-amino-N-methyl-8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-methyl-8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide is CNC(=O)c1ccc2c(N)ncc(-c3ccc4c(c3)CS(=O)(=O)N4C)c2n1.
What is the InChIKey of 5-amino-N-methyl-8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide?
The InChIKey is NIEXIIOGLJSOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-20-18(24)14-5-4-12-16(22-14)13(8-21-17(12)19)10-3-6-15-11(7-10)9-27(25,26)23(15)2/h3-8H,9H2,1-2H3,(H2,19,21)(H,20,24).
What are the key properties of 5-amino-N-methyl-8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide?
5-amino-N-methyl-8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 118660899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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