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

C10H18IN3S — CID 131853542

IUPAC6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydroiodide
SMILESCCCNC1CCc2nc(N)sc2C1.I
InChIInChI=1S/C10H17N3S.HI/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;/h7,12H,2-6H2,1H3,(H2,11,13);1H
InChIKeyVYULKDWPAITTIO-UHFFFAOYSA-N
MW339.25 g/mol
LogP2.20
Rot. Bonds3

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

6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydroiodide (PubChem CID 131853542) has the molecular formula C10H18IN3S and a molecular weight of 339.25 g/mol. Its IUPAC name is 6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydroiodide.

Molecular Properties

Compound Name6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydroiodide
PubChem CID131853542
Molecular FormulaC10H18IN3S
Molecular Weight339.25 g/mol
Exact Mass339.03
IUPAC Name6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydroiodide
SMILESCCCNC1CCc2nc(N)sc2C1.I
InChIInChI=1S/C10H17N3S.HI/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;/h7,12H,2-6H2,1H3,(H2,11,13);1H
InChIKeyVYULKDWPAITTIO-UHFFFAOYSA-N
XLogP2.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydrochloride
CID 11615735
(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dichloride;hydrate
CID 154730531
bis((E)-but-2-enedioic acid);6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 137395465
(2R,3R)-2,3-dihydroxybutanedioic acid;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydrochloride
CID 10294259
(6S)-N-propyl-2-[(E)-[(6S)-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]diazenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
CID 171703301
(6S,7R)-6-N-propyl-7-[[(6S)-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 95162278
6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde
CID 140994202
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide
CID 86312812
6-N-ethenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 163809537
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide
CID 87704338
4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydrochloride
CID 87483218
[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]amino]ethyl]cyclohexyl]-tert-butylcarbamic acid
CID 87347698

Frequently Asked Questions

What is the IUPAC name of 6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydroiodide?
The IUPAC name of 6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydroiodide (CID 131853542) is 6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydroiodide.
What is the SMILES notation for 6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydroiodide?
The canonical SMILES for 6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydroiodide is CCCNC1CCc2nc(N)sc2C1.I.
What is the InChIKey of 6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydroiodide?
The InChIKey is VYULKDWPAITTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S.HI/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;/h7,12H,2-6H2,1H3,(H2,11,13);1H.
What are the key properties of 6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydroiodide?
6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydroiodide has a molecular weight of 339.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydroiodide is sourced from PubChem (CID 131853542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).