N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylfuran-2-carboxamide

C21H23N3O2S — CID 46539421

IUPACN-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylfuran-2-carboxamide
SMILESCC1CCCN(Cc2csc(NC(=O)c3occc3-c3ccccc3)n2)C1
InChIInChI=1S/C21H23N3O2S/c1-15-6-5-10-24(12-15)13-17-14-27-21(22-17)23-20(25)19-18(9-11-26-19)16-7-3-2-4-8-16/h2-4,7-9,11,14-15H,5-6,10,12-13H2,1H3,(H,22,23,25)
InChIKeyUAYUPTRPFOVXDQ-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.89
Rot. Bonds5

About N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylfuran-2-carboxamide

N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylfuran-2-carboxamide (PubChem CID 46539421) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylfuran-2-carboxamide
PubChem CID46539421
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylfuran-2-carboxamide
SMILESCC1CCCN(Cc2csc(NC(=O)c3occc3-c3ccccc3)n2)C1
InChIInChI=1S/C21H23N3O2S/c1-15-6-5-10-24(12-15)13-17-14-27-21(22-17)23-20(25)19-18(9-11-26-19)16-7-3-2-4-8-16/h2-4,7-9,11,14-15H,5-6,10,12-13H2,1H3,(H,22,23,25)
InChIKeyUAYUPTRPFOVXDQ-UHFFFAOYSA-N
XLogP4.89
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylfuran-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

Related Compounds

N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 35844118
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 17458113
3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24685478
2-ethoxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 35844295
N-[2-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 30823052
(2R)-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 100841717
3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46680184
3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 51298761
2-(2-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 46680251
5-chloro-2-hydroxy-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 74646134
5-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 24586725
N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 25345513

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylfuran-2-carboxamide?
The IUPAC name of N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylfuran-2-carboxamide (CID 46539421) is N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylfuran-2-carboxamide?
The canonical SMILES for N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylfuran-2-carboxamide is CC1CCCN(Cc2csc(NC(=O)c3occc3-c3ccccc3)n2)C1.
What is the InChIKey of N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylfuran-2-carboxamide?
The InChIKey is UAYUPTRPFOVXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-15-6-5-10-24(12-15)13-17-14-27-21(22-17)23-20(25)19-18(9-11-26-19)16-7-3-2-4-8-16/h2-4,7-9,11,14-15H,5-6,10,12-13H2,1H3,(H,22,23,25).
What are the key properties of N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylfuran-2-carboxamide?
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylfuran-2-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylfuran-2-carboxamide is sourced from PubChem (CID 46539421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).