2-anilino-6,7-dimethoxy-3,1-benzothiazin-4-one

C16H14N2O3S — CID 110193650

IUPAC2-anilino-6,7-dimethoxy-3,1-benzothiazin-4-one
SMILESCOc1cc2nc(Nc3ccccc3)sc(=O)c2cc1OC
InChIInChI=1S/C16H14N2O3S/c1-20-13-8-11-12(9-14(13)21-2)18-16(22-15(11)19)17-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,18)
InChIKeyWXAKIVLVWZGVJA-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.42
Rot. Bonds4

About 2-anilino-6,7-dimethoxy-3,1-benzothiazin-4-one

2-anilino-6,7-dimethoxy-3,1-benzothiazin-4-one (PubChem CID 110193650) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-anilino-6,7-dimethoxy-3,1-benzothiazin-4-one.

Molecular Properties

Compound Name2-anilino-6,7-dimethoxy-3,1-benzothiazin-4-one
PubChem CID110193650
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name2-anilino-6,7-dimethoxy-3,1-benzothiazin-4-one
SMILESCOc1cc2nc(Nc3ccccc3)sc(=O)c2cc1OC
InChIInChI=1S/C16H14N2O3S/c1-20-13-8-11-12(9-14(13)21-2)18-16(22-15(11)19)17-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,18)
InChIKeyWXAKIVLVWZGVJA-UHFFFAOYSA-N
XLogP3.42
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-anilino-5-methoxy-1,3-benzothiazole-6-carboxylate
CID 82548339
4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22693012
4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
CID 127029779
6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 117088726
6,7-dimethoxy-4-N-phenyl-2-N-pyrimidin-2-ylquinazoline-2,4-diamine
CID 117087219
7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 43306672
6-[(5,6-dimethoxybenzimidazol-1-yl)methyl]-N-phenyl-1,3-benzothiazol-2-amine
CID 71549587
2-anilino-7-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42647648
N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79128816
6,7-dimethoxy-2-morpholin-4-yl-N-phenylquinazolin-4-amine
CID 71738609
2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-phenylquinazoline-2,4-diamine
CID 117091404
[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]methanol
CID 19749183

Frequently Asked Questions

What is the IUPAC name of 2-anilino-6,7-dimethoxy-3,1-benzothiazin-4-one?
The IUPAC name of 2-anilino-6,7-dimethoxy-3,1-benzothiazin-4-one (CID 110193650) is 2-anilino-6,7-dimethoxy-3,1-benzothiazin-4-one.
What is the SMILES notation for 2-anilino-6,7-dimethoxy-3,1-benzothiazin-4-one?
The canonical SMILES for 2-anilino-6,7-dimethoxy-3,1-benzothiazin-4-one is COc1cc2nc(Nc3ccccc3)sc(=O)c2cc1OC.
What is the InChIKey of 2-anilino-6,7-dimethoxy-3,1-benzothiazin-4-one?
The InChIKey is WXAKIVLVWZGVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-20-13-8-11-12(9-14(13)21-2)18-16(22-15(11)19)17-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,18).
What are the key properties of 2-anilino-6,7-dimethoxy-3,1-benzothiazin-4-one?
2-anilino-6,7-dimethoxy-3,1-benzothiazin-4-one has a molecular weight of 314.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6,7-dimethoxy-3,1-benzothiazin-4-one is sourced from PubChem (CID 110193650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).