1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxamide

C20H21ClN4O2S — CID 27377148

IUPAC1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)CC1
InChIInChI=1S/C20H21ClN4O2S/c21-15-3-1-13(2-4-15)17-11-25-16(12-28-20(25)23-17)5-6-18(26)24-9-7-14(8-10-24)19(22)27/h1-4,11-12,14H,5-10H2,(H2,22,27)
InChIKeyWBAUVBYKZYEFGW-UHFFFAOYSA-N
MW416.93 g/mol
LogP3.37
Rot. Bonds5

About 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxamide

1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxamide (PubChem CID 27377148) has the molecular formula C20H21ClN4O2S and a molecular weight of 416.93 g/mol. Its IUPAC name is 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxamide
PubChem CID27377148
Molecular FormulaC20H21ClN4O2S
Molecular Weight416.93 g/mol
Exact Mass416.11
IUPAC Name1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)CC1
InChIInChI=1S/C20H21ClN4O2S/c21-15-3-1-13(2-4-15)17-11-25-16(12-28-20(25)23-17)5-6-18(26)24-9-7-14(8-10-24)19(22)27/h1-4,11-12,14H,5-10H2,(H2,22,27)
InChIKeyWBAUVBYKZYEFGW-UHFFFAOYSA-N
XLogP3.37
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxamide (CID 27377148) is 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)CC1.
What is the InChIKey of 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxamide?
The InChIKey is WBAUVBYKZYEFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2S/c21-15-3-1-13(2-4-15)17-11-25-16(12-28-20(25)23-17)5-6-18(26)24-9-7-14(8-10-24)19(22)27/h1-4,11-12,14H,5-10H2,(H2,22,27).
What are the key properties of 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxamide?
1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxamide has a molecular weight of 416.93 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 27377148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).