N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide

C20H21N5O3S — CID 23144093

IUPACN-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2nc(-c3ccco3)c(C(=O)c3ccccn3)s2)CC1
InChIInChI=1S/C20H21N5O3S/c1-24-8-10-25(11-9-24)13-16(26)22-20-23-17(15-6-4-12-28-15)19(29-20)18(27)14-5-2-3-7-21-14/h2-7,12H,8-11,13H2,1H3,(H,22,23,26)
InChIKeySRMZWUUGSBLWHR-UHFFFAOYSA-N
MW411.49 g/mol
LogP2.21
Rot. Bonds6

About N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide

N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 23144093) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID23144093
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC NameN-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2nc(-c3ccco3)c(C(=O)c3ccccn3)s2)CC1
InChIInChI=1S/C20H21N5O3S/c1-24-8-10-25(11-9-24)13-16(26)22-20-23-17(15-6-4-12-28-15)19(29-20)18(27)14-5-2-3-7-21-14/h2-7,12H,8-11,13H2,1H3,(H,22,23,26)
InChIKeySRMZWUUGSBLWHR-UHFFFAOYSA-N
XLogP2.21
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide 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-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 23144093) is N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2nc(-c3ccco3)c(C(=O)c3ccccn3)s2)CC1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is SRMZWUUGSBLWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c1-24-8-10-25(11-9-24)13-16(26)22-20-23-17(15-6-4-12-28-15)19(29-20)18(27)14-5-2-3-7-21-14/h2-7,12H,8-11,13H2,1H3,(H,22,23,26).
What are the key properties of N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 411.49 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 23144093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).