2-(benzylamino)-1,2-benzothiazol-3-one

C14H12N2OS — CID 155529546

IUPAC2-(benzylamino)-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1NCc1ccccc1
InChIInChI=1S/C14H12N2OS/c17-14-12-8-4-5-9-13(12)18-16(14)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKeyWCFGJULPEWYMOV-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.81
Rot. Bonds3

About 2-(benzylamino)-1,2-benzothiazol-3-one

2-(benzylamino)-1,2-benzothiazol-3-one (PubChem CID 155529546) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(benzylamino)-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-(benzylamino)-1,2-benzothiazol-3-one
PubChem CID155529546
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name2-(benzylamino)-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1NCc1ccccc1
InChIInChI=1S/C14H12N2OS/c17-14-12-8-4-5-9-13(12)18-16(14)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKeyWCFGJULPEWYMOV-UHFFFAOYSA-N
XLogP2.81
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(propan-2-ylamino)methyl]phenyl]-1,2-benzothiazol-3-one
CID 106912059
N-[(4-fluorophenyl)methyl]-3-oxo-1,2-benzothiazole-2-carboxamide
CID 71659900
N-[(3-chlorophenyl)methyl]-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 22514827
2-[5-[[3-[[[5-(3-oxo-1,2-benzothiazol-2-yl)-1,3,4-thiadiazol-2-yl]amino]methyl]phenyl]methylamino]-1,3,4-thiadiazol-2-yl]-1,2-benzothiazol-3-one
CID 146478546
1-[(3-oxo-1,2-benzothiazol-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 115450800
2-(2,2-dimethylpropyl)-1,2-benzothiazol-3-one
CID 59860472
2-prop-2-ynyl-1,2-benzothiazol-3-one
CID 53315389
2-hydroxy-3-(3-oxo-1,2-benzothiazol-2-yl)propanoic acid
CID 81435653
2-benzyl-4-oxo-5-(3-oxo-1,2-benzothiazol-2-yl)pentanoic acid
CID 58466360
2-[(1S)-2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-benzothiazol-3-one
CID 71508511
2-[1-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-1,2-benzothiazol-3-one
CID 45255809
N-hydroxy-4-[(3-oxo-1,2-benzothiazol-2-yl)methyl]benzamide
CID 58011595

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1,2-benzothiazol-3-one?
The IUPAC name of 2-(benzylamino)-1,2-benzothiazol-3-one (CID 155529546) is 2-(benzylamino)-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-(benzylamino)-1,2-benzothiazol-3-one?
The canonical SMILES for 2-(benzylamino)-1,2-benzothiazol-3-one is O=c1c2ccccc2sn1NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-1,2-benzothiazol-3-one?
The InChIKey is WCFGJULPEWYMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c17-14-12-8-4-5-9-13(12)18-16(14)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2.
What are the key properties of 2-(benzylamino)-1,2-benzothiazol-3-one?
2-(benzylamino)-1,2-benzothiazol-3-one has a molecular weight of 256.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1,2-benzothiazol-3-one is sourced from PubChem (CID 155529546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).