N-(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)formamide

C16H16N2OS — CID 156827909

IUPACN-(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)formamide
SMILESO=CNc1ccc2c(c1)N(Cc1ccccc1)CCS2
InChIInChI=1S/C16H16N2OS/c19-12-17-14-6-7-16-15(10-14)18(8-9-20-16)11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,17,19)
InChIKeyVIHHVMUTDHMTNN-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.37
Rot. Bonds4

About N-(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)formamide

N-(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)formamide (PubChem CID 156827909) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)formamide.

Molecular Properties

Compound NameN-(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)formamide
PubChem CID156827909
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)formamide
SMILESO=CNc1ccc2c(c1)N(Cc1ccccc1)CCS2
InChIInChI=1S/C16H16N2OS/c19-12-17-14-6-7-16-15(10-14)18(8-9-20-16)11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,17,19)
InChIKeyVIHHVMUTDHMTNN-UHFFFAOYSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)formamide
CID 53213308
N,4-dibenzyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 6622632
4-benzyl-N-cyclopentyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876228
4-benzyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876233
(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)-(4-methylpiperazin-1-yl)methanone
CID 20876259
4-benzyl-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 6620033
N-(2-benzyl-1,3-dihydroisoindol-5-yl)formamide
CID 168652594
(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 6625003
3-benzyl-2H-1,3-benzothiazole;hydrobromide
CID 173117012
4-benzyl-N-[2-(4-ethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876252
4-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
CID 103038305
3-benzyl-2H-1,3-benzothiazole
CID 5080554

Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)formamide?
The IUPAC name of N-(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)formamide (CID 156827909) is N-(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)formamide.
What is the SMILES notation for N-(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)formamide?
The canonical SMILES for N-(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)formamide is O=CNc1ccc2c(c1)N(Cc1ccccc1)CCS2.
What is the InChIKey of N-(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)formamide?
The InChIKey is VIHHVMUTDHMTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c19-12-17-14-6-7-16-15(10-14)18(8-9-20-16)11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,17,19).
What are the key properties of N-(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)formamide?
N-(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)formamide has a molecular weight of 284.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)formamide is sourced from PubChem (CID 156827909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).