2-[(2-chlorophenyl)methylamino]-1,3-benzothiazin-4-one

C15H11ClN2OS — CID 175663483

IUPAC2-[(2-chlorophenyl)methylamino]-1,3-benzothiazin-4-one
SMILESO=c1nc(NCc2ccccc2Cl)sc2ccccc12
InChIInChI=1S/C15H11ClN2OS/c16-12-7-3-1-5-10(12)9-17-15-18-14(19)11-6-2-4-8-13(11)20-15/h1-8H,9H2,(H,17,18,19)
InChIKeyCYFVYVURCZFHST-UHFFFAOYSA-N
MW302.79 g/mol
LogP3.92
Rot. Bonds3

About 2-[(2-chlorophenyl)methylamino]-1,3-benzothiazin-4-one

2-[(2-chlorophenyl)methylamino]-1,3-benzothiazin-4-one (PubChem CID 175663483) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-1,3-benzothiazin-4-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-1,3-benzothiazin-4-one
PubChem CID175663483
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name2-[(2-chlorophenyl)methylamino]-1,3-benzothiazin-4-one
SMILESO=c1nc(NCc2ccccc2Cl)sc2ccccc12
InChIInChI=1S/C15H11ClN2OS/c16-12-7-3-1-5-10(12)9-17-15-18-14(19)11-6-2-4-8-13(11)20-15/h1-8H,9H2,(H,17,18,19)
InChIKeyCYFVYVURCZFHST-UHFFFAOYSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64624509
2-[(2-chlorophenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306604
2-[(2-chlorophenyl)methylamino]-1,3-thiazole-5-sulfonamide
CID 133279971
2-[(2-chlorophenyl)methylamino]-5-propan-2-yl-1,3-thiazol-4-ol
CID 91245583
methyl 5-acetyl-2-[(2-chlorophenyl)methylamino]-1,3-thiazole-4-carboxylate
CID 106696757
1-(1,3-benzothiazol-2-yl)-3-[(2-chlorophenyl)methyl]urea
CID 41328118
2-[[2-[[2-[[2-[[(4-chloro-1,3-benzothiazol-2-yl)amino]methyl]phenyl]sulfonylamino]acetyl]amino]acetyl]amino]acetic acid
CID 10392118
N-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 142733943
N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide
CID 17257540
2-(1-benzothiophen-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 46261254
3-hydroxy-4-[(4-oxo-1,3-benzothiazin-2-yl)amino]benzoic acid
CID 176514793
2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
CID 135764107

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-1,3-benzothiazin-4-one?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-1,3-benzothiazin-4-one (CID 175663483) is 2-[(2-chlorophenyl)methylamino]-1,3-benzothiazin-4-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-1,3-benzothiazin-4-one?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-1,3-benzothiazin-4-one is O=c1nc(NCc2ccccc2Cl)sc2ccccc12.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-1,3-benzothiazin-4-one?
The InChIKey is CYFVYVURCZFHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-12-7-3-1-5-10(12)9-17-15-18-14(19)11-6-2-4-8-13(11)20-15/h1-8H,9H2,(H,17,18,19).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-1,3-benzothiazin-4-one?
2-[(2-chlorophenyl)methylamino]-1,3-benzothiazin-4-one has a molecular weight of 302.79 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-1,3-benzothiazin-4-one is sourced from PubChem (CID 175663483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).