N-[5-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]pentyl]-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide

C24H32ClN5OS — CID 165112157

IUPACN-[5-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]pentyl]-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCCc1cccc(N2CCN(CCCCCNC(=O)c3nc4sccn4c3C)CC2)c1Cl
InChIInChI=1S/C24H32ClN5OS/c1-3-19-8-7-9-20(21(19)25)29-14-12-28(13-15-29)11-6-4-5-10-26-23(31)22-18(2)30-16-17-32-24(30)27-22/h7-9,16-17H,3-6,10-15H2,1-2H3,(H,26,31)
InChIKeyJAKFCAJOXZJYMN-UHFFFAOYSA-N
MW474.07 g/mol
LogP4.64
Rot. Bonds9

About N-[5-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]pentyl]-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[5-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]pentyl]-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 165112157) has the molecular formula C24H32ClN5OS and a molecular weight of 474.07 g/mol. Its IUPAC name is N-[5-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]pentyl]-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]pentyl]-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID165112157
Molecular FormulaC24H32ClN5OS
Molecular Weight474.07 g/mol
Exact Mass473.20
IUPAC NameN-[5-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]pentyl]-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCCc1cccc(N2CCN(CCCCCNC(=O)c3nc4sccn4c3C)CC2)c1Cl
InChIInChI=1S/C24H32ClN5OS/c1-3-19-8-7-9-20(21(19)25)29-14-12-28(13-15-29)11-6-4-5-10-26-23(31)22-18(2)30-16-17-32-24(30)27-22/h7-9,16-17H,3-6,10-15H2,1-2H3,(H,26,31)
InChIKeyJAKFCAJOXZJYMN-UHFFFAOYSA-N
XLogP4.64
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.07
LogP ≤ 54.64
H-Bond Donors ≤ 51
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 N-[5-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]pentyl]-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[5-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]pentyl]-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 165112157) is N-[5-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]pentyl]-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[5-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]pentyl]-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[5-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]pentyl]-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide is CCc1cccc(N2CCN(CCCCCNC(=O)c3nc4sccn4c3C)CC2)c1Cl.
What is the InChIKey of N-[5-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]pentyl]-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is JAKFCAJOXZJYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN5OS/c1-3-19-8-7-9-20(21(19)25)29-14-12-28(13-15-29)11-6-4-5-10-26-23(31)22-18(2)30-16-17-32-24(30)27-22/h7-9,16-17H,3-6,10-15H2,1-2H3,(H,26,31).
What are the key properties of N-[5-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]pentyl]-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[5-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]pentyl]-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 474.07 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]pentyl]-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 165112157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).