2-(naphthalen-2-ylamino)-1,3-benzothiazin-4-one

C18H12N2OS — CID 597901

IUPAC2-(naphthalen-2-ylamino)-1,3-benzothiazin-4-one
SMILESO=c1nc(Nc2ccc3ccccc3c2)sc2ccccc12
InChIInChI=1S/C18H12N2OS/c21-17-15-7-3-4-8-16(15)22-18(20-17)19-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,19,20,21)
InChIKeyMRLTZZTXKUYDDH-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.55
Rot. Bonds2

About 2-(naphthalen-2-ylamino)-1,3-benzothiazin-4-one

2-(naphthalen-2-ylamino)-1,3-benzothiazin-4-one (PubChem CID 597901) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(naphthalen-2-ylamino)-1,3-benzothiazin-4-one.

Molecular Properties

Compound Name2-(naphthalen-2-ylamino)-1,3-benzothiazin-4-one
PubChem CID597901
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name2-(naphthalen-2-ylamino)-1,3-benzothiazin-4-one
SMILESO=c1nc(Nc2ccc3ccccc3c2)sc2ccccc12
InChIInChI=1S/C18H12N2OS/c21-17-15-7-3-4-8-16(15)22-18(20-17)19-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,19,20,21)
InChIKeyMRLTZZTXKUYDDH-UHFFFAOYSA-N
XLogP4.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-2-yl-1,3-benzothiazol-2-amine
CID 54164580
3-hydroxy-4-[(4-oxo-1,3-benzothiazin-2-yl)amino]benzoic acid
CID 176514793
2-anthracen-2-yl-1,3-benzothiazin-4-one
CID 71426550
6-(1,3-benzothiazol-2-ylamino)chromen-2-one
CID 25023615
N-phenanthren-2-yldibenzothiophen-3-amine
CID 166647228
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
CID 169073524
2-[(2-chlorophenyl)methylamino]-1,3-benzothiazin-4-one
CID 175663483
N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 2360618
N-naphthalen-2-ylanthracen-9-amine
CID 139983847
N-pentacen-2-ylpentacen-2-amine
CID 91227915
2-[2-(naphthalen-2-ylamino)-1,3-thiazol-4-yl]acetamide
CID 170510503

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylamino)-1,3-benzothiazin-4-one?
The IUPAC name of 2-(naphthalen-2-ylamino)-1,3-benzothiazin-4-one (CID 597901) is 2-(naphthalen-2-ylamino)-1,3-benzothiazin-4-one.
What is the SMILES notation for 2-(naphthalen-2-ylamino)-1,3-benzothiazin-4-one?
The canonical SMILES for 2-(naphthalen-2-ylamino)-1,3-benzothiazin-4-one is O=c1nc(Nc2ccc3ccccc3c2)sc2ccccc12.
What is the InChIKey of 2-(naphthalen-2-ylamino)-1,3-benzothiazin-4-one?
The InChIKey is MRLTZZTXKUYDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS/c21-17-15-7-3-4-8-16(15)22-18(20-17)19-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,19,20,21).
What are the key properties of 2-(naphthalen-2-ylamino)-1,3-benzothiazin-4-one?
2-(naphthalen-2-ylamino)-1,3-benzothiazin-4-one has a molecular weight of 304.37 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylamino)-1,3-benzothiazin-4-one is sourced from PubChem (CID 597901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).