5-(4-chlorophenyl)-N-cyclopentyl-3,6-dihydro-1,3,4-thiadiazin-2-imine

C14H16ClN3S — CID 135529253

IUPAC5-(4-chlorophenyl)-N-cyclopentyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESClc1ccc(C2=NN/C(=N/C3CCCC3)SC2)cc1
InChIInChI=1S/C14H16ClN3S/c15-11-7-5-10(6-8-11)13-9-19-14(18-17-13)16-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H,16,18)
InChIKeyPWLGTACZXLTPGJ-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.68
Rot. Bonds2

About 5-(4-chlorophenyl)-N-cyclopentyl-3,6-dihydro-1,3,4-thiadiazin-2-imine

5-(4-chlorophenyl)-N-cyclopentyl-3,6-dihydro-1,3,4-thiadiazin-2-imine (PubChem CID 135529253) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-cyclopentyl-3,6-dihydro-1,3,4-thiadiazin-2-imine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-cyclopentyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
PubChem CID135529253
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name5-(4-chlorophenyl)-N-cyclopentyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESClc1ccc(C2=NN/C(=N/C3CCCC3)SC2)cc1
InChIInChI=1S/C14H16ClN3S/c15-11-7-5-10(6-8-11)13-9-19-14(18-17-13)16-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H,16,18)
InChIKeyPWLGTACZXLTPGJ-UHFFFAOYSA-N
XLogP3.68
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-(4-chlorophenyl)-N-cyclopentyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The IUPAC name of 5-(4-chlorophenyl)-N-cyclopentyl-3,6-dihydro-1,3,4-thiadiazin-2-imine (CID 135529253) is 5-(4-chlorophenyl)-N-cyclopentyl-3,6-dihydro-1,3,4-thiadiazin-2-imine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-cyclopentyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The canonical SMILES for 5-(4-chlorophenyl)-N-cyclopentyl-3,6-dihydro-1,3,4-thiadiazin-2-imine is Clc1ccc(C2=NN/C(=N/C3CCCC3)SC2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-cyclopentyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The InChIKey is PWLGTACZXLTPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c15-11-7-5-10(6-8-11)13-9-19-14(18-17-13)16-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H,16,18).
What are the key properties of 5-(4-chlorophenyl)-N-cyclopentyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
5-(4-chlorophenyl)-N-cyclopentyl-3,6-dihydro-1,3,4-thiadiazin-2-imine has a molecular weight of 293.82 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-cyclopentyl-3,6-dihydro-1,3,4-thiadiazin-2-imine is sourced from PubChem (CID 135529253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).