N-(pyridin-2-ylmethyl)-1,4-dihydro-3,1-benzothiazin-2-imine

C14H13N3S — CID 135416194

IUPACN-(pyridin-2-ylmethyl)-1,4-dihydro-3,1-benzothiazin-2-imine
SMILESc1ccc(C/N=C2/Nc3ccccc3CS2)nc1
InChIInChI=1S/C14H13N3S/c1-2-7-13-11(5-1)10-18-14(17-13)16-9-12-6-3-4-8-15-12/h1-8H,9-10H2,(H,16,17)
InChIKeyXNMRPWZYTMZSDO-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.30
Rot. Bonds2

About N-(pyridin-2-ylmethyl)-1,4-dihydro-3,1-benzothiazin-2-imine

N-(pyridin-2-ylmethyl)-1,4-dihydro-3,1-benzothiazin-2-imine (PubChem CID 135416194) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-1,4-dihydro-3,1-benzothiazin-2-imine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-1,4-dihydro-3,1-benzothiazin-2-imine
PubChem CID135416194
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC NameN-(pyridin-2-ylmethyl)-1,4-dihydro-3,1-benzothiazin-2-imine
SMILESc1ccc(C/N=C2/Nc3ccccc3CS2)nc1
InChIInChI=1S/C14H13N3S/c1-2-7-13-11(5-1)10-18-14(17-13)16-9-12-6-3-4-8-15-12/h1-8H,9-10H2,(H,16,17)
InChIKeyXNMRPWZYTMZSDO-UHFFFAOYSA-N
XLogP3.30
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(quinolin-8-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135496702
N-(3-pyridinylmethyl)-4H-3,1-benzothiazin-2-amine
CID 135439654
N-(5-methyl-1,3-thiazolidin-2-ylidene)quinolin-8-amine
CID 43439683
3,4-dihydro-2H-quinolin-1-yl(pyridin-2-yl)methanethione
CID 14510230
N-[3-(2-methylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide
CID 42598697
10-(Methylsulfanyl)-2,4,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaene
CID 16824016
2-[[2-(Trifluoromethyl)phenyl]imino]-3-(2-pyridylmethyl)-thiazolidine
CID 24788416
6-phenyl-2-((pyridin-2-ylmethyl)thio)pyrimidin-4(3H)-one
CID 135561454
2-Pyridin-2-yl-1,2,3,4-tetrahydroquinoline
CID 90409822
2-Pyridin-4-yl-1,4-dihydroquinazoline
CID 90785207
N-(4,5-Dihydro-1,3-thiazol-2-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine
CID 13535618
5,5-dimethyl-N-(2-propan-2-ylphenyl)-3-[6-(trifluoromethyl)pyridin-3-yl]-1,3-thiazinan-2-imine
CID 20811483

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-1,4-dihydro-3,1-benzothiazin-2-imine?
The IUPAC name of N-(pyridin-2-ylmethyl)-1,4-dihydro-3,1-benzothiazin-2-imine (CID 135416194) is N-(pyridin-2-ylmethyl)-1,4-dihydro-3,1-benzothiazin-2-imine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-1,4-dihydro-3,1-benzothiazin-2-imine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-1,4-dihydro-3,1-benzothiazin-2-imine is c1ccc(C/N=C2/Nc3ccccc3CS2)nc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-1,4-dihydro-3,1-benzothiazin-2-imine?
The InChIKey is XNMRPWZYTMZSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-2-7-13-11(5-1)10-18-14(17-13)16-9-12-6-3-4-8-15-12/h1-8H,9-10H2,(H,16,17).
What are the key properties of N-(pyridin-2-ylmethyl)-1,4-dihydro-3,1-benzothiazin-2-imine?
N-(pyridin-2-ylmethyl)-1,4-dihydro-3,1-benzothiazin-2-imine has a molecular weight of 255.35 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-1,4-dihydro-3,1-benzothiazin-2-imine is sourced from PubChem (CID 135416194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).