6-N-ethyl-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

C12H21N3S — CID 88569221

IUPAC6-N-ethyl-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
SMILESCCCN(CC)C1CCc2nc(N)sc2C1
InChIInChI=1S/C12H21N3S/c1-3-7-15(4-2)9-5-6-10-11(8-9)16-12(13)14-10/h9H,3-8H2,1-2H3,(H2,13,14)
InChIKeyFZNMEAPAHRLHPI-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.31
Rot. Bonds4

About 6-N-ethyl-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

6-N-ethyl-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine (PubChem CID 88569221) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 6-N-ethyl-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
PubChem CID88569221
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name6-N-ethyl-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
SMILESCCCN(CC)C1CCc2nc(N)sc2C1
InChIInChI=1S/C12H21N3S/c1-3-7-15(4-2)9-5-6-10-11(8-9)16-12(13)14-10/h9H,3-8H2,1-2H3,(H2,13,14)
InChIKeyFZNMEAPAHRLHPI-UHFFFAOYSA-N
XLogP2.31
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 6-N-ethyl-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine (CID 88569221) is 6-N-ethyl-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 6-N-ethyl-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine is CCCN(CC)C1CCc2nc(N)sc2C1.
What is the InChIKey of 6-N-ethyl-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine?
The InChIKey is FZNMEAPAHRLHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-7-15(4-2)9-5-6-10-11(8-9)16-12(13)14-10/h9H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 6-N-ethyl-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine?
6-N-ethyl-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine has a molecular weight of 239.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 88569221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).