(3R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide

C20H23N5OS2 — CID 97104664

IUPAC(3R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1nc(C)c(CNC(=O)[C@@H]2CCCN(c3ccc(-c4cccs4)nn3)C2)s1
InChIInChI=1S/C20H23N5OS2/c1-13-18(28-14(2)22-13)11-21-20(26)15-5-3-9-25(12-15)19-8-7-16(23-24-19)17-6-4-10-27-17/h4,6-8,10,15H,3,5,9,11-12H2,1-2H3,(H,21,26)/t15-/m1/s1
InChIKeyBZUDLDXTDZCVJM-OAHLLOKOSA-N
MW413.57 g/mol
LogP3.81
Rot. Bonds5

About (3R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide

(3R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 97104664) has the molecular formula C20H23N5OS2 and a molecular weight of 413.57 g/mol. Its IUPAC name is (3R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID97104664
Molecular FormulaC20H23N5OS2
Molecular Weight413.57 g/mol
Exact Mass413.13
IUPAC Name(3R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1nc(C)c(CNC(=O)[C@@H]2CCCN(c3ccc(-c4cccs4)nn3)C2)s1
InChIInChI=1S/C20H23N5OS2/c1-13-18(28-14(2)22-13)11-21-20(26)15-5-3-9-25(12-15)19-8-7-16(23-24-19)17-6-4-10-27-17/h4,6-8,10,15H,3,5,9,11-12H2,1-2H3,(H,21,26)/t15-/m1/s1
InChIKeyBZUDLDXTDZCVJM-OAHLLOKOSA-N
XLogP3.81
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071367
N-[(4-phenylmethoxyphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071407
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 90547251
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121119421
N-(4-phenylbutan-2-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071376
1-[6-(furan-2-yl)pyridazin-3-yl]-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90546912
N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071421
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-3-carboxamide
CID 121071330
1-(6-methylpyridazin-3-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)piperidine-3-carboxamide
CID 121118677
N-(2,1,3-benzothiadiazol-4-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071371
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071245
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]piperidine-3-carboxamide
CID 121071163

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 97104664) is (3R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide is Cc1nc(C)c(CNC(=O)[C@@H]2CCCN(c3ccc(-c4cccs4)nn3)C2)s1.
What is the InChIKey of (3R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is BZUDLDXTDZCVJM-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N5OS2/c1-13-18(28-14(2)22-13)11-21-20(26)15-5-3-9-25(12-15)19-8-7-16(23-24-19)17-6-4-10-27-17/h4,6-8,10,15H,3,5,9,11-12H2,1-2H3,(H,21,26)/t15-/m1/s1.
What are the key properties of (3R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide?
(3R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 413.57 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 97104664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).