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

C26H35N7S — CID 118461529

IUPAC6-N-propyl-6-N-[2-[4-(6-pyridin-2-yl-3-pyridinyl)piperazin-1-yl]ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
SMILESCCCN(CCN1CCN(c2ccc(-c3ccccn3)nc2)CC1)C1CCc2nc(N)sc2C1
InChIInChI=1S/C26H35N7S/c1-2-11-32(20-6-9-24-25(18-20)34-26(27)30-24)15-12-31-13-16-33(17-14-31)21-7-8-23(29-19-21)22-5-3-4-10-28-22/h3-5,7-8,10,19-20H,2,6,9,11-18H2,1H3,(H2,27,30)
InChIKeyWQTLRHZZRMRHMI-UHFFFAOYSA-N
MW477.68 g/mol
LogP3.57
Rot. Bonds8

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

6-N-propyl-6-N-[2-[4-(6-pyridin-2-yl-3-pyridinyl)piperazin-1-yl]ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine (PubChem CID 118461529) has the molecular formula C26H35N7S and a molecular weight of 477.68 g/mol. Its IUPAC name is 6-N-propyl-6-N-[2-[4-(6-pyridin-2-yl-3-pyridinyl)piperazin-1-yl]ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name6-N-propyl-6-N-[2-[4-(6-pyridin-2-yl-3-pyridinyl)piperazin-1-yl]ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
PubChem CID118461529
Molecular FormulaC26H35N7S
Molecular Weight477.68 g/mol
Exact Mass477.27
IUPAC Name6-N-propyl-6-N-[2-[4-(6-pyridin-2-yl-3-pyridinyl)piperazin-1-yl]ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
SMILESCCCN(CCN1CCN(c2ccc(-c3ccccn3)nc2)CC1)C1CCc2nc(N)sc2C1
InChIInChI=1S/C26H35N7S/c1-2-11-32(20-6-9-24-25(18-20)34-26(27)30-24)15-12-31-13-16-33(17-14-31)21-7-8-23(29-19-21)22-5-3-4-10-28-22/h3-5,7-8,10,19-20H,2,6,9,11-18H2,1H3,(H2,27,30)
InChIKeyWQTLRHZZRMRHMI-UHFFFAOYSA-N
XLogP3.57
TPSA74.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.68
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-N-propyl-6-N-[2-[4-(6-pyridin-2-yl-3-pyridinyl)piperazin-1-yl]ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-propyl-6-N-[2-[4-(6-pyridin-2-yl-3-pyridinyl)piperazin-1-yl]ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 6-N-propyl-6-N-[2-[4-(6-pyridin-2-yl-3-pyridinyl)piperazin-1-yl]ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine (CID 118461529) is 6-N-propyl-6-N-[2-[4-(6-pyridin-2-yl-3-pyridinyl)piperazin-1-yl]ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 6-N-propyl-6-N-[2-[4-(6-pyridin-2-yl-3-pyridinyl)piperazin-1-yl]ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 6-N-propyl-6-N-[2-[4-(6-pyridin-2-yl-3-pyridinyl)piperazin-1-yl]ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine is CCCN(CCN1CCN(c2ccc(-c3ccccn3)nc2)CC1)C1CCc2nc(N)sc2C1.
What is the InChIKey of 6-N-propyl-6-N-[2-[4-(6-pyridin-2-yl-3-pyridinyl)piperazin-1-yl]ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine?
The InChIKey is WQTLRHZZRMRHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7S/c1-2-11-32(20-6-9-24-25(18-20)34-26(27)30-24)15-12-31-13-16-33(17-14-31)21-7-8-23(29-19-21)22-5-3-4-10-28-22/h3-5,7-8,10,19-20H,2,6,9,11-18H2,1H3,(H2,27,30).
What are the key properties of 6-N-propyl-6-N-[2-[4-(6-pyridin-2-yl-3-pyridinyl)piperazin-1-yl]ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine?
6-N-propyl-6-N-[2-[4-(6-pyridin-2-yl-3-pyridinyl)piperazin-1-yl]ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine has a molecular weight of 477.68 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-propyl-6-N-[2-[4-(6-pyridin-2-yl-3-pyridinyl)piperazin-1-yl]ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 118461529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).