N-[(4-chlorophenyl)methyl]-1,4-dihydro-3,1-benzothiazin-2-imine

C15H13ClN2S — CID 135452189

IUPACN-[(4-chlorophenyl)methyl]-1,4-dihydro-3,1-benzothiazin-2-imine
SMILESClc1ccc(C/N=C2/Nc3ccccc3CS2)cc1
InChIInChI=1S/C15H13ClN2S/c16-13-7-5-11(6-8-13)9-17-15-18-14-4-2-1-3-12(14)10-19-15/h1-8H,9-10H2,(H,17,18)
InChIKeyRLZINRKDFUDZLH-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.55
Rot. Bonds2

About N-[(4-chlorophenyl)methyl]-1,4-dihydro-3,1-benzothiazin-2-imine

N-[(4-chlorophenyl)methyl]-1,4-dihydro-3,1-benzothiazin-2-imine (PubChem CID 135452189) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1,4-dihydro-3,1-benzothiazin-2-imine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1,4-dihydro-3,1-benzothiazin-2-imine
PubChem CID135452189
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC NameN-[(4-chlorophenyl)methyl]-1,4-dihydro-3,1-benzothiazin-2-imine
SMILESClc1ccc(C/N=C2/Nc3ccccc3CS2)cc1
InChIInChI=1S/C15H13ClN2S/c16-13-7-5-11(6-8-13)9-17-15-18-14-4-2-1-3-12(14)10-19-15/h1-8H,9-10H2,(H,17,18)
InChIKeyRLZINRKDFUDZLH-UHFFFAOYSA-N
XLogP4.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1,4-dihydro-3,1-benzothiazin-2-imine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1,4-dihydro-3,1-benzothiazin-2-imine (CID 135452189) is N-[(4-chlorophenyl)methyl]-1,4-dihydro-3,1-benzothiazin-2-imine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1,4-dihydro-3,1-benzothiazin-2-imine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1,4-dihydro-3,1-benzothiazin-2-imine is Clc1ccc(C/N=C2/Nc3ccccc3CS2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1,4-dihydro-3,1-benzothiazin-2-imine?
The InChIKey is RLZINRKDFUDZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c16-13-7-5-11(6-8-13)9-17-15-18-14-4-2-1-3-12(14)10-19-15/h1-8H,9-10H2,(H,17,18).
What are the key properties of N-[(4-chlorophenyl)methyl]-1,4-dihydro-3,1-benzothiazin-2-imine?
N-[(4-chlorophenyl)methyl]-1,4-dihydro-3,1-benzothiazin-2-imine has a molecular weight of 288.80 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1,4-dihydro-3,1-benzothiazin-2-imine is sourced from PubChem (CID 135452189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).