6-[(cyclohexylamino)methyl]-4H-1,4-benzothiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid

C25H29N5O4S — CID 69377934

IUPAC6-[(cyclohexylamino)methyl]-4H-1,4-benzothiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid
SMILESCOc1ccc2nccc(NC(=O)O)c2n1.O=C1CSc2ccc(CNC3CCCCC3)cc2N1
InChIInChI=1S/C15H20N2OS.C10H9N3O3/c18-15-10-19-14-7-6-11(8-13(14)17-15)9-16-12-4-2-1-3-5-12;1-16-8-3-2-6-9(13-8)7(4-5-11-6)12-10(14)15/h6-8,12,16H,1-5,9-10H2,(H,17,18);2-5H,1H3,(H,11,12)(H,14,15)
InChIKeyFLKOXJJUUKHLNE-UHFFFAOYSA-N
MW495.61 g/mol
LogP4.88
Rot. Bonds5

About 6-[(cyclohexylamino)methyl]-4H-1,4-benzothiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid

6-[(cyclohexylamino)methyl]-4H-1,4-benzothiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid (PubChem CID 69377934) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is 6-[(cyclohexylamino)methyl]-4H-1,4-benzothiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid.

Molecular Properties

Compound Name6-[(cyclohexylamino)methyl]-4H-1,4-benzothiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid
PubChem CID69377934
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC Name6-[(cyclohexylamino)methyl]-4H-1,4-benzothiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid
SMILESCOc1ccc2nccc(NC(=O)O)c2n1.O=C1CSc2ccc(CNC3CCCCC3)cc2N1
InChIInChI=1S/C15H20N2OS.C10H9N3O3/c18-15-10-19-14-7-6-11(8-13(14)17-15)9-16-12-4-2-1-3-5-12;1-16-8-3-2-6-9(13-8)7(4-5-11-6)12-10(14)15/h6-8,12,16H,1-5,9-10H2,(H,17,18);2-5H,1H3,(H,11,12)(H,14,15)
InChIKeyFLKOXJJUUKHLNE-UHFFFAOYSA-N
XLogP4.88
TPSA125.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 54.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]cyclohexene-1-carboxamide
CID 91083502
7-chloro-6-[[[(1S,2S)-2-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid
CID 69375921
6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 11626868
1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide
CID 10391068
(3S,4R)-3,4-dihydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide
CID 10164462
N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide;oxalic acid
CID 131726283
N-[4-[1-[(6-methoxy-1,5-naphthyridin-4-yl)amino]ethenyl]cyclohexyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 89311873
4-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide;oxalic acid
CID 159257059
N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid
CID 69378082
6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;quinolin-4-ylcarbamic acid
CID 68890003
4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
CID 10343587
N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyliminomethyl]cyclohexane-1-carboxamide
CID 152951766

Frequently Asked Questions

What is the IUPAC name of 6-[(cyclohexylamino)methyl]-4H-1,4-benzothiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid?
The IUPAC name of 6-[(cyclohexylamino)methyl]-4H-1,4-benzothiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid (CID 69377934) is 6-[(cyclohexylamino)methyl]-4H-1,4-benzothiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid.
What is the SMILES notation for 6-[(cyclohexylamino)methyl]-4H-1,4-benzothiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid?
The canonical SMILES for 6-[(cyclohexylamino)methyl]-4H-1,4-benzothiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid is COc1ccc2nccc(NC(=O)O)c2n1.O=C1CSc2ccc(CNC3CCCCC3)cc2N1.
What is the InChIKey of 6-[(cyclohexylamino)methyl]-4H-1,4-benzothiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid?
The InChIKey is FLKOXJJUUKHLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS.C10H9N3O3/c18-15-10-19-14-7-6-11(8-13(14)17-15)9-16-12-4-2-1-3-5-12;1-16-8-3-2-6-9(13-8)7(4-5-11-6)12-10(14)15/h6-8,12,16H,1-5,9-10H2,(H,17,18);2-5H,1H3,(H,11,12)(H,14,15).
What are the key properties of 6-[(cyclohexylamino)methyl]-4H-1,4-benzothiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid?
6-[(cyclohexylamino)methyl]-4H-1,4-benzothiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid has a molecular weight of 495.61 g/mol, XLogP of 4.88, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(cyclohexylamino)methyl]-4H-1,4-benzothiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid is sourced from PubChem (CID 69377934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).