N-[3-(3-hydroxypiperidin-1-yl)propyl]-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

C24H25N3O4S2 — CID 71112815

IUPACN-[3-(3-hydroxypiperidin-1-yl)propyl]-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C1c2ccccc2OC1c1csc(N(CCCN2CCCC(O)C2)C(=O)c2cccs2)n1
InChIInChI=1S/C24H25N3O4S2/c28-16-6-3-10-26(14-16)11-5-12-27(23(30)20-9-4-13-32-20)24-25-18(15-33-24)22-21(29)17-7-1-2-8-19(17)31-22/h1-2,4,7-9,13,15-16,22,28H,3,5-6,10-12,14H2
InChIKeyJKTZGHJYPKWUFG-UHFFFAOYSA-N
MW483.62 g/mol
LogP4.01
Rot. Bonds7

About N-[3-(3-hydroxypiperidin-1-yl)propyl]-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[3-(3-hydroxypiperidin-1-yl)propyl]-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 71112815) has the molecular formula C24H25N3O4S2 and a molecular weight of 483.62 g/mol. Its IUPAC name is N-[3-(3-hydroxypiperidin-1-yl)propyl]-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-hydroxypiperidin-1-yl)propyl]-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID71112815
Molecular FormulaC24H25N3O4S2
Molecular Weight483.62 g/mol
Exact Mass483.13
IUPAC NameN-[3-(3-hydroxypiperidin-1-yl)propyl]-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C1c2ccccc2OC1c1csc(N(CCCN2CCCC(O)C2)C(=O)c2cccs2)n1
InChIInChI=1S/C24H25N3O4S2/c28-16-6-3-10-26(14-16)11-5-12-27(23(30)20-9-4-13-32-20)24-25-18(15-33-24)22-21(29)17-7-1-2-8-19(17)31-22/h1-2,4,7-9,13,15-16,22,28H,3,5-6,10-12,14H2
InChIKeyJKTZGHJYPKWUFG-UHFFFAOYSA-N
XLogP4.01
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-(3-hydroxypiperidin-1-yl)propyl]-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide 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 N-[3-(3-hydroxypiperidin-1-yl)propyl]-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(3-hydroxypiperidin-1-yl)propyl]-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 71112815) is N-[3-(3-hydroxypiperidin-1-yl)propyl]-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(3-hydroxypiperidin-1-yl)propyl]-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(3-hydroxypiperidin-1-yl)propyl]-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C1c2ccccc2OC1c1csc(N(CCCN2CCCC(O)C2)C(=O)c2cccs2)n1.
What is the InChIKey of N-[3-(3-hydroxypiperidin-1-yl)propyl]-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is JKTZGHJYPKWUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S2/c28-16-6-3-10-26(14-16)11-5-12-27(23(30)20-9-4-13-32-20)24-25-18(15-33-24)22-21(29)17-7-1-2-8-19(17)31-22/h1-2,4,7-9,13,15-16,22,28H,3,5-6,10-12,14H2.
What are the key properties of N-[3-(3-hydroxypiperidin-1-yl)propyl]-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[3-(3-hydroxypiperidin-1-yl)propyl]-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 483.62 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxypiperidin-1-yl)propyl]-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 71112815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).