N-cyclopropyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine

C16H19N3S — CID 135569585

IUPACN-cyclopropyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESc1cc2c(cc1C1=NN/C(=N/C3CC3)SC1)CCCC2
InChIInChI=1S/C16H19N3S/c1-2-4-12-9-13(6-5-11(12)3-1)15-10-20-16(19-18-15)17-14-7-8-14/h5-6,9,14H,1-4,7-8,10H2,(H,17,19)
InChIKeyYQIRDVFDSBBZER-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.12
Rot. Bonds2

About N-cyclopropyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine

N-cyclopropyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine (PubChem CID 135569585) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-cyclopropyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine.

Molecular Properties

Compound NameN-cyclopropyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
PubChem CID135569585
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-cyclopropyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESc1cc2c(cc1C1=NN/C(=N/C3CC3)SC1)CCCC2
InChIInChI=1S/C16H19N3S/c1-2-4-12-9-13(6-5-11(12)3-1)15-10-20-16(19-18-15)17-14-7-8-14/h5-6,9,14H,1-4,7-8,10H2,(H,17,19)
InChIKeyYQIRDVFDSBBZER-UHFFFAOYSA-N
XLogP3.12
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.12
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 N-cyclopropyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The IUPAC name of N-cyclopropyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine (CID 135569585) is N-cyclopropyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine.
What is the SMILES notation for N-cyclopropyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The canonical SMILES for N-cyclopropyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine is c1cc2c(cc1C1=NN/C(=N/C3CC3)SC1)CCCC2.
What is the InChIKey of N-cyclopropyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The InChIKey is YQIRDVFDSBBZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-2-4-12-9-13(6-5-11(12)3-1)15-10-20-16(19-18-15)17-14-7-8-14/h5-6,9,14H,1-4,7-8,10H2,(H,17,19).
What are the key properties of N-cyclopropyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
N-cyclopropyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine has a molecular weight of 285.42 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine is sourced from PubChem (CID 135569585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).