5-(4-fluorophenyl)-N-propan-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine

C12H14FN3S — CID 135468797

IUPAC5-(4-fluorophenyl)-N-propan-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESCC(C)/N=C1/NN=C(c2ccc(F)cc2)CS1
InChIInChI=1S/C12H14FN3S/c1-8(2)14-12-16-15-11(7-17-12)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyAWMXVXSTGPACIP-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.63
Rot. Bonds2

About 5-(4-fluorophenyl)-N-propan-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine

5-(4-fluorophenyl)-N-propan-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine (PubChem CID 135468797) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-propan-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-propan-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine
PubChem CID135468797
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC Name5-(4-fluorophenyl)-N-propan-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESCC(C)/N=C1/NN=C(c2ccc(F)cc2)CS1
InChIInChI=1S/C12H14FN3S/c1-8(2)14-12-16-15-11(7-17-12)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyAWMXVXSTGPACIP-UHFFFAOYSA-N
XLogP2.63
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.63
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

N-cyclopropyl-5-phenyl-6H-1,3,4-thiadiazin-2-amine
CID 135416587
N-benzyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135439878
N-ethyl-5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-amine
CID 135512399
N-cyclopropyl-5-(4-methylsulfanylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135777093
N-butyl-5-(3,4-dimethylphenyl)-6H-1,3,4-thiadiazin-2-amine
CID 135439853
N-benzyl-5-(3,4-difluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135512250
N-cyclopropyl-5-(4-methylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135880234
5-(4-fluorophenyl)-N-(2-methoxyethyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135527991
N-cyclopropyl-5-(3,4-difluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135512251
N-(2-methylcyclohexyl)-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135420475
5-(4-chlorophenyl)-6-methyl-N-prop-2-enyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135438326
4-amino-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazine-5,6,6-tricarbonitrile
CID 139231671

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-propan-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The IUPAC name of 5-(4-fluorophenyl)-N-propan-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine (CID 135468797) is 5-(4-fluorophenyl)-N-propan-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-propan-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The canonical SMILES for 5-(4-fluorophenyl)-N-propan-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine is CC(C)/N=C1/NN=C(c2ccc(F)cc2)CS1.
What is the InChIKey of 5-(4-fluorophenyl)-N-propan-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The InChIKey is AWMXVXSTGPACIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c1-8(2)14-12-16-15-11(7-17-12)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16).
What are the key properties of 5-(4-fluorophenyl)-N-propan-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
5-(4-fluorophenyl)-N-propan-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine has a molecular weight of 251.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-propan-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine is sourced from PubChem (CID 135468797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).