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

C26H42ClN5OS — CID 87483218

IUPAC4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydrochloride
SMILESCCCN(CCC)CCc1cccc2c1CC(=O)N2.CCCN[C@H]1CCc2nc(N)sc2C1.Cl
InChIInChI=1S/C16H24N2O.C10H17N3S.ClH/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15;1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;/h5-7H,3-4,8-12H2,1-2H3,(H,17,19);7,12H,2-6H2,1H3,(H2,11,13);1H/t;7-;/m.0./s1
InChIKeyTYWIWGBIVKLAAZ-IXSARBFQSA-N
MW508.18 g/mol
LogP4.85
Rot. Bonds10

About 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

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 (PubChem CID 87483218) has the molecular formula C26H42ClN5OS and a molecular weight of 508.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydrochloride
PubChem CID87483218
Molecular FormulaC26H42ClN5OS
Molecular Weight508.18 g/mol
Exact Mass507.28
IUPAC Name4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydrochloride
SMILESCCCN(CCC)CCc1cccc2c1CC(=O)N2.CCCN[C@H]1CCc2nc(N)sc2C1.Cl
InChIInChI=1S/C16H24N2O.C10H17N3S.ClH/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15;1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;/h5-7H,3-4,8-12H2,1-2H3,(H,17,19);7,12H,2-6H2,1H3,(H2,11,13);1H/t;7-;/m.0./s1
InChIKeyTYWIWGBIVKLAAZ-IXSARBFQSA-N
XLogP4.85
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.18
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCN(CCC)CCc1cccc2c1CC(=O)N2.CCCN[C@H]1CCc2nc(N)sc2C1.Cl.
What is the InChIKey of 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?
The InChIKey is TYWIWGBIVKLAAZ-IXSARBFQSA-N. The full InChI is InChI=1S/C16H24N2O.C10H17N3S.ClH/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15;1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;/h5-7H,3-4,8-12H2,1-2H3,(H,17,19);7,12H,2-6H2,1H3,(H2,11,13);1H/t;7-;/m.0./s1.
What are the key properties of 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?
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 has a molecular weight of 508.18 g/mol, XLogP of 4.85, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 87483218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).