N-benzyl-3-methyl-5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-imine

C15H15N3S2 — CID 9112341

IUPACN-benzyl-3-methyl-5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-imine
SMILESCN1N=C(c2cccs2)CS/C1=N\Cc1ccccc1
InChIInChI=1S/C15H15N3S2/c1-18-15(16-10-12-6-3-2-4-7-12)20-11-13(17-18)14-8-5-9-19-14/h2-9H,10-11H2,1H3/b16-15-
InChIKeyGSJNVOHNLXNAFX-NXVVXOECSA-N
MW301.44 g/mol
LogP3.69
Rot. Bonds3

About N-benzyl-3-methyl-5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-imine

N-benzyl-3-methyl-5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-imine (PubChem CID 9112341) has the molecular formula C15H15N3S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is N-benzyl-3-methyl-5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-imine.

Molecular Properties

Compound NameN-benzyl-3-methyl-5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-imine
PubChem CID9112341
Molecular FormulaC15H15N3S2
Molecular Weight301.44 g/mol
Exact Mass301.07
IUPAC NameN-benzyl-3-methyl-5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-imine
SMILESCN1N=C(c2cccs2)CS/C1=N\Cc1ccccc1
InChIInChI=1S/C15H15N3S2/c1-18-15(16-10-12-6-3-2-4-7-12)20-11-13(17-18)14-8-5-9-19-14/h2-9H,10-11H2,1H3/b16-15-
InChIKeyGSJNVOHNLXNAFX-NXVVXOECSA-N
XLogP3.69
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6903342
(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6906386
2-Benzyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 2824517
4,5-diphenyl-2-thiophen-2-yl-4H-imidazole
CID 24870390
(3R)-2-methyl-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 124421176
4-(2-fluorophenyl)-N-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2473729
(Z)-4-(2-fluorophenyl)-N-methyl-3-[(Z)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 5689191
4-(4-fluorophenyl)-N-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23765822
N-ethyl-4-(2-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23800214
N-ethyl-3-[(3-fluorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23847473
4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-(1-thiophen-2-ylethylideneamino)-1,3-thiazol-2-imine
CID 23857141
3-[1-(2,6-difluorophenyl)ethylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23908537

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-imine?
The IUPAC name of N-benzyl-3-methyl-5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-imine (CID 9112341) is N-benzyl-3-methyl-5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-imine.
What is the SMILES notation for N-benzyl-3-methyl-5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-imine?
The canonical SMILES for N-benzyl-3-methyl-5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-imine is CN1N=C(c2cccs2)CS/C1=N\Cc1ccccc1.
What is the InChIKey of N-benzyl-3-methyl-5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-imine?
The InChIKey is GSJNVOHNLXNAFX-NXVVXOECSA-N. The full InChI is InChI=1S/C15H15N3S2/c1-18-15(16-10-12-6-3-2-4-7-12)20-11-13(17-18)14-8-5-9-19-14/h2-9H,10-11H2,1H3/b16-15-.
What are the key properties of N-benzyl-3-methyl-5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-imine?
N-benzyl-3-methyl-5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-imine has a molecular weight of 301.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-imine is sourced from PubChem (CID 9112341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).