5-(7-ethyl-1H-indol-3-yl)-N-propyl-3,6-dihydro-1,3,4-thiadiazin-2-imine

C16H20N4S — CID 135673044

IUPAC5-(7-ethyl-1H-indol-3-yl)-N-propyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESCCC/N=C1/NN=C(c2c[nH]c3c(CC)cccc23)CS1
InChIInChI=1S/C16H20N4S/c1-3-8-17-16-20-19-14(10-21-16)13-9-18-15-11(4-2)6-5-7-12(13)15/h5-7,9,18H,3-4,8,10H2,1-2H3,(H,17,20)
InChIKeyZWYZTFKDICLLSK-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.54
Rot. Bonds4

About 5-(7-ethyl-1H-indol-3-yl)-N-propyl-3,6-dihydro-1,3,4-thiadiazin-2-imine

5-(7-ethyl-1H-indol-3-yl)-N-propyl-3,6-dihydro-1,3,4-thiadiazin-2-imine (PubChem CID 135673044) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 5-(7-ethyl-1H-indol-3-yl)-N-propyl-3,6-dihydro-1,3,4-thiadiazin-2-imine.

Molecular Properties

Compound Name5-(7-ethyl-1H-indol-3-yl)-N-propyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
PubChem CID135673044
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name5-(7-ethyl-1H-indol-3-yl)-N-propyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESCCC/N=C1/NN=C(c2c[nH]c3c(CC)cccc23)CS1
InChIInChI=1S/C16H20N4S/c1-3-8-17-16-20-19-14(10-21-16)13-9-18-15-11(4-2)6-5-7-12(13)15/h5-7,9,18H,3-4,8,10H2,1-2H3,(H,17,20)
InChIKeyZWYZTFKDICLLSK-UHFFFAOYSA-N
XLogP3.54
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
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-(7-ethyl-1H-indol-3-yl)-N-propyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The IUPAC name of 5-(7-ethyl-1H-indol-3-yl)-N-propyl-3,6-dihydro-1,3,4-thiadiazin-2-imine (CID 135673044) is 5-(7-ethyl-1H-indol-3-yl)-N-propyl-3,6-dihydro-1,3,4-thiadiazin-2-imine.
What is the SMILES notation for 5-(7-ethyl-1H-indol-3-yl)-N-propyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The canonical SMILES for 5-(7-ethyl-1H-indol-3-yl)-N-propyl-3,6-dihydro-1,3,4-thiadiazin-2-imine is CCC/N=C1/NN=C(c2c[nH]c3c(CC)cccc23)CS1.
What is the InChIKey of 5-(7-ethyl-1H-indol-3-yl)-N-propyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The InChIKey is ZWYZTFKDICLLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-3-8-17-16-20-19-14(10-21-16)13-9-18-15-11(4-2)6-5-7-12(13)15/h5-7,9,18H,3-4,8,10H2,1-2H3,(H,17,20).
What are the key properties of 5-(7-ethyl-1H-indol-3-yl)-N-propyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
5-(7-ethyl-1H-indol-3-yl)-N-propyl-3,6-dihydro-1,3,4-thiadiazin-2-imine has a molecular weight of 300.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-ethyl-1H-indol-3-yl)-N-propyl-3,6-dihydro-1,3,4-thiadiazin-2-imine is sourced from PubChem (CID 135673044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).