4-methyl-2-(3-morpholin-4-ylpropylamino)benzo[e][1,3]benzothiazol-5-ol;chloride;hydrochloride

C19H24Cl2N3O2S- — CID 161241528

IUPAC4-methyl-2-(3-morpholin-4-ylpropylamino)benzo[e][1,3]benzothiazol-5-ol;chloride;hydrochloride
SMILESCc1c(O)c2ccccc2c2nc(NCCCN3CCOCC3)sc12.Cl.[Cl-]
InChIInChI=1S/C19H23N3O2S.2ClH/c1-13-17(23)15-6-3-2-5-14(15)16-18(13)25-19(21-16)20-7-4-8-22-9-11-24-12-10-22;;/h2-3,5-6,23H,4,7-12H2,1H3,(H,20,21);2*1H/p-1
InChIKeyCXWQXCWTCVFPOY-UHFFFAOYSA-M
MW429.39 g/mol
LogP1.02
Rot. Bonds5

About 4-methyl-2-(3-morpholin-4-ylpropylamino)benzo[e][1,3]benzothiazol-5-ol;chloride;hydrochloride

4-methyl-2-(3-morpholin-4-ylpropylamino)benzo[e][1,3]benzothiazol-5-ol;chloride;hydrochloride (PubChem CID 161241528) has the molecular formula C19H24Cl2N3O2S- and a molecular weight of 429.39 g/mol. Its IUPAC name is 4-methyl-2-(3-morpholin-4-ylpropylamino)benzo[e][1,3]benzothiazol-5-ol;chloride;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-(3-morpholin-4-ylpropylamino)benzo[e][1,3]benzothiazol-5-ol;chloride;hydrochloride
PubChem CID161241528
Molecular FormulaC19H24Cl2N3O2S-
Molecular Weight429.39 g/mol
Exact Mass428.10
IUPAC Name4-methyl-2-(3-morpholin-4-ylpropylamino)benzo[e][1,3]benzothiazol-5-ol;chloride;hydrochloride
SMILESCc1c(O)c2ccccc2c2nc(NCCCN3CCOCC3)sc12.Cl.[Cl-]
InChIInChI=1S/C19H23N3O2S.2ClH/c1-13-17(23)15-6-3-2-5-14(15)16-18(13)25-19(21-16)20-7-4-8-22-9-11-24-12-10-22;;/h2-3,5-6,23H,4,7-12H2,1H3,(H,20,21);2*1H/p-1
InChIKeyCXWQXCWTCVFPOY-UHFFFAOYSA-M
XLogP1.02
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.39
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(3-morpholin-4-ylpropylamino)benzo[e][1,3]benzothiazol-1-ium-5-ol
CID 20619529
4-methyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
CID 43348242
4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 80570559
1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide
CID 70180257
4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine
CID 45496623
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine
CID 4193041
4-methoxy-5,7-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine
CID 82548601
N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 61340085
7-methyl-N-(3-morpholin-4-ylpropyl)-4H-indeno[1,2-d][1,3]thiazol-2-amine
CID 10065176
2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol
CID 3565841
2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 22692931
2-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]quinazolin-5-amine
CID 34044453

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-morpholin-4-ylpropylamino)benzo[e][1,3]benzothiazol-5-ol;chloride;hydrochloride?
The IUPAC name of 4-methyl-2-(3-morpholin-4-ylpropylamino)benzo[e][1,3]benzothiazol-5-ol;chloride;hydrochloride (CID 161241528) is 4-methyl-2-(3-morpholin-4-ylpropylamino)benzo[e][1,3]benzothiazol-5-ol;chloride;hydrochloride.
What is the SMILES notation for 4-methyl-2-(3-morpholin-4-ylpropylamino)benzo[e][1,3]benzothiazol-5-ol;chloride;hydrochloride?
The canonical SMILES for 4-methyl-2-(3-morpholin-4-ylpropylamino)benzo[e][1,3]benzothiazol-5-ol;chloride;hydrochloride is Cc1c(O)c2ccccc2c2nc(NCCCN3CCOCC3)sc12.Cl.[Cl-].
What is the InChIKey of 4-methyl-2-(3-morpholin-4-ylpropylamino)benzo[e][1,3]benzothiazol-5-ol;chloride;hydrochloride?
The InChIKey is CXWQXCWTCVFPOY-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H23N3O2S.2ClH/c1-13-17(23)15-6-3-2-5-14(15)16-18(13)25-19(21-16)20-7-4-8-22-9-11-24-12-10-22;;/h2-3,5-6,23H,4,7-12H2,1H3,(H,20,21);2*1H/p-1.
What are the key properties of 4-methyl-2-(3-morpholin-4-ylpropylamino)benzo[e][1,3]benzothiazol-5-ol;chloride;hydrochloride?
4-methyl-2-(3-morpholin-4-ylpropylamino)benzo[e][1,3]benzothiazol-5-ol;chloride;hydrochloride has a molecular weight of 429.39 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-morpholin-4-ylpropylamino)benzo[e][1,3]benzothiazol-5-ol;chloride;hydrochloride is sourced from PubChem (CID 161241528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).