6-chloro-N-(4-piperidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide

C17H17ClN4OS — CID 2349371

IUPAC6-chloro-N-(4-piperidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1c(Cl)nc2sccn12
InChIInChI=1S/C17H17ClN4OS/c18-15-14(22-10-11-24-17(22)20-15)16(23)19-12-4-6-13(7-5-12)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,19,23)
InChIKeyBFZDXPKNPXMBTJ-UHFFFAOYSA-N
MW360.87 g/mol
LogP4.29
Rot. Bonds3

About 6-chloro-N-(4-piperidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-chloro-N-(4-piperidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 2349371) has the molecular formula C17H17ClN4OS and a molecular weight of 360.87 g/mol. Its IUPAC name is 6-chloro-N-(4-piperidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-piperidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID2349371
Molecular FormulaC17H17ClN4OS
Molecular Weight360.87 g/mol
Exact Mass360.08
IUPAC Name6-chloro-N-(4-piperidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1c(Cl)nc2sccn12
InChIInChI=1S/C17H17ClN4OS/c18-15-14(22-10-11-24-17(22)20-15)16(23)19-12-4-6-13(7-5-12)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,19,23)
InChIKeyBFZDXPKNPXMBTJ-UHFFFAOYSA-N
XLogP4.29
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-piperidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-chloro-N-(4-piperidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 2349371) is 6-chloro-N-(4-piperidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-piperidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-chloro-N-(4-piperidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-(4-piperidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is BFZDXPKNPXMBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4OS/c18-15-14(22-10-11-24-17(22)20-15)16(23)19-12-4-6-13(7-5-12)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,19,23).
What are the key properties of 6-chloro-N-(4-piperidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-chloro-N-(4-piperidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 360.87 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-piperidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 2349371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).