(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

C20H30N6S2 — CID 171703301

IUPAC(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
SMILESCCCN[C@H]1CCc2nc(/N=N/c3nc4c(s3)C[C@@H](NCCC)CC4)sc2C1
InChIInChI=1S/C20H30N6S2/c1-3-9-21-13-5-7-15-17(11-13)27-19(23-15)25-26-20-24-16-8-6-14(22-10-4-2)12-18(16)28-20/h13-14,21-22H,3-12H2,1-2H3/b26-25+/t13-,14-/m0/s1
InChIKeyMRHJADFWPUZYJM-XITSECRGSA-N
MW418.64 g/mol
LogP4.73
Rot. Bonds8

About (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

(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 (PubChem CID 171703301) has the molecular formula C20H30N6S2 and a molecular weight of 418.64 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID171703301
Molecular FormulaC20H30N6S2
Molecular Weight418.64 g/mol
Exact Mass418.20
IUPAC Name(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
SMILESCCCN[C@H]1CCc2nc(/N=N/c3nc4c(s3)C[C@@H](NCCC)CC4)sc2C1
InChIInChI=1S/C20H30N6S2/c1-3-9-21-13-5-7-15-17(11-13)27-19(23-15)25-26-20-24-16-8-6-14(22-10-4-2)12-18(16)28-20/h13-14,21-22H,3-12H2,1-2H3/b26-25+/t13-,14-/m0/s1
InChIKeyMRHJADFWPUZYJM-XITSECRGSA-N
XLogP4.73
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.64
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydroiodide
CID 131853542
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
6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde
CID 140994202
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,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
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-[6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 123319282
2,4,4-trimethyl-N-[6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-sulfanylhexanamide
CID 144548103
(6R)-2-butyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
CID 99908843
N-(2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)propanamide
CID 66614061
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCCN[C@H]1CCc2nc(/N=N/c3nc4c(s3)C[C@@H](NCCC)CC4)sc2C1.
What is the InChIKey of (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?
The InChIKey is MRHJADFWPUZYJM-XITSECRGSA-N. The full InChI is InChI=1S/C20H30N6S2/c1-3-9-21-13-5-7-15-17(11-13)27-19(23-15)25-26-20-24-16-8-6-14(22-10-4-2)12-18(16)28-20/h13-14,21-22H,3-12H2,1-2H3/b26-25+/t13-,14-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 418.64 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 171703301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).