6-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

C23H35N5OS — CID 24866614

IUPAC6-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
SMILESCCCN(CCN1CCN(c2ccccc2OC)CC1)C1CCc2nc(N)sc2C1
InChIInChI=1S/C23H35N5OS/c1-3-10-27(18-8-9-19-22(17-18)30-23(24)25-19)14-11-26-12-15-28(16-13-26)20-6-4-5-7-21(20)29-2/h4-7,18H,3,8-17H2,1-2H3,(H2,24,25)
InChIKeyWIZIUHWXARABLD-UHFFFAOYSA-N
MW429.63 g/mol
LogP3.13
Rot. Bonds8

About 6-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

6-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine (PubChem CID 24866614) has the molecular formula C23H35N5OS and a molecular weight of 429.63 g/mol. Its IUPAC name is 6-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
PubChem CID24866614
Molecular FormulaC23H35N5OS
Molecular Weight429.63 g/mol
Exact Mass429.26
IUPAC Name6-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
SMILESCCCN(CCN1CCN(c2ccccc2OC)CC1)C1CCc2nc(N)sc2C1
InChIInChI=1S/C23H35N5OS/c1-3-10-27(18-8-9-19-22(17-18)30-23(24)25-19)14-11-26-12-15-28(16-13-26)20-6-4-5-7-21(20)29-2/h4-7,18H,3,8-17H2,1-2H3,(H2,24,25)
InChIKeyWIZIUHWXARABLD-UHFFFAOYSA-N
XLogP3.13
TPSA57.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.63
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 6-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine (CID 24866614) is 6-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 6-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 6-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine is CCCN(CCN1CCN(c2ccccc2OC)CC1)C1CCc2nc(N)sc2C1.
What is the InChIKey of 6-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine?
The InChIKey is WIZIUHWXARABLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5OS/c1-3-10-27(18-8-9-19-22(17-18)30-23(24)25-19)14-11-26-12-15-28(16-13-26)20-6-4-5-7-21(20)29-2/h4-7,18H,3,8-17H2,1-2H3,(H2,24,25).
What are the key properties of 6-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine?
6-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine has a molecular weight of 429.63 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 24866614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).