N-[2-[3-methyl-4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]hydroxylamine

C15H15N3OS — CID 142943061

IUPACN-[2-[3-methyl-4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]hydroxylamine
SMILESCNc1ccc(-c2nc3ccc(NO)cc3s2)cc1C
InChIInChI=1S/C15H15N3OS/c1-9-7-10(3-5-12(9)16-2)15-17-13-6-4-11(18-19)8-14(13)20-15/h3-8,16,18-19H,1-2H3
InChIKeyIYGQHDJBYBOTOQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.11
Rot. Bonds3

About N-[2-[3-methyl-4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]hydroxylamine

N-[2-[3-methyl-4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]hydroxylamine (PubChem CID 142943061) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[2-[3-methyl-4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]hydroxylamine.

Molecular Properties

Compound NameN-[2-[3-methyl-4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]hydroxylamine
PubChem CID142943061
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-[2-[3-methyl-4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]hydroxylamine
SMILESCNc1ccc(-c2nc3ccc(NO)cc3s2)cc1C
InChIInChI=1S/C15H15N3OS/c1-9-7-10(3-5-12(9)16-2)15-17-13-6-4-11(18-19)8-14(13)20-15/h3-8,16,18-19H,1-2H3
InChIKeyIYGQHDJBYBOTOQ-UHFFFAOYSA-N
XLogP4.11
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(6-chloro-1,3-benzothiazol-2-yl)-2-methylaniline
CID 45361803
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide
CID 17100714
2-[3-[fluoro(methyl)boranyl]-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol
CID 143210507
4-(6-bromo-1,3-benzothiazol-2-yl)-2-methylaniline;ethane
CID 142943002
1-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea
CID 46381228
2-fluoro-N-methyl-4-[6-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazol-2-yl]aniline
CID 146640128
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylphenyl)urea
CID 19165577
1-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(3-chlorophenyl)urea
CID 46381200
4-methoxy-N-[4-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylphenyl]benzenesulfonamide
CID 50835410
N'-(2,5-dimethylphenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide
CID 108531006
sodium N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]sulfamate
CID 23710157
[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea
CID 82030663

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-methyl-4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]hydroxylamine?
The IUPAC name of N-[2-[3-methyl-4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]hydroxylamine (CID 142943061) is N-[2-[3-methyl-4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]hydroxylamine.
What is the SMILES notation for N-[2-[3-methyl-4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]hydroxylamine?
The canonical SMILES for N-[2-[3-methyl-4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]hydroxylamine is CNc1ccc(-c2nc3ccc(NO)cc3s2)cc1C.
What is the InChIKey of N-[2-[3-methyl-4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]hydroxylamine?
The InChIKey is IYGQHDJBYBOTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9-7-10(3-5-12(9)16-2)15-17-13-6-4-11(18-19)8-14(13)20-15/h3-8,16,18-19H,1-2H3.
What are the key properties of N-[2-[3-methyl-4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]hydroxylamine?
N-[2-[3-methyl-4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]hydroxylamine has a molecular weight of 285.37 g/mol, XLogP of 4.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-methyl-4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]hydroxylamine is sourced from PubChem (CID 142943061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).