2-(2-hydroxyphenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

C24H26N4O2S — CID 164571770

IUPAC2-(2-hydroxyphenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1ccc2c(c1)sc1nc(-c3ccccc3O)cn12
InChIInChI=1S/C24H26N4O2S/c29-21-8-3-2-7-18(21)19-16-28-20-10-9-17(15-22(20)31-24(28)26-19)23(30)25-11-6-14-27-12-4-1-5-13-27/h2-3,7-10,15-16,29H,1,4-6,11-14H2,(H,25,30)
InChIKeyRWQSRCCMKFLROM-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.53
Rot. Bonds6

About 2-(2-hydroxyphenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

2-(2-hydroxyphenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (PubChem CID 164571770) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
PubChem CID164571770
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Name2-(2-hydroxyphenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1ccc2c(c1)sc1nc(-c3ccccc3O)cn12
InChIInChI=1S/C24H26N4O2S/c29-21-8-3-2-7-18(21)19-16-28-20-10-9-17(15-22(20)31-24(28)26-19)23(30)25-11-6-14-27-12-4-1-5-13-27/h2-3,7-10,15-16,29H,1,4-6,11-14H2,(H,25,30)
InChIKeyRWQSRCCMKFLROM-UHFFFAOYSA-N
XLogP4.53
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.53
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The IUPAC name of 2-(2-hydroxyphenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (CID 164571770) is 2-(2-hydroxyphenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is O=C(NCCCN1CCCCC1)c1ccc2c(c1)sc1nc(-c3ccccc3O)cn12.
What is the InChIKey of 2-(2-hydroxyphenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The InChIKey is RWQSRCCMKFLROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c29-21-8-3-2-7-18(21)19-16-28-20-10-9-17(15-22(20)31-24(28)26-19)23(30)25-11-6-14-27-12-4-1-5-13-27/h2-3,7-10,15-16,29H,1,4-6,11-14H2,(H,25,30).
What are the key properties of 2-(2-hydroxyphenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
2-(2-hydroxyphenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is sourced from PubChem (CID 164571770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).