N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C15H19N3O2S — CID 119300523

IUPACN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1cc(-c2csc(NC(=O)C3CCNCC3)n2)c(C)o1
InChIInChI=1S/C15H19N3O2S/c1-9-7-12(10(2)20-9)13-8-21-15(17-13)18-14(19)11-3-5-16-6-4-11/h7-8,11,16H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyBZJSIOLSVUWTMF-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.96
Rot. Bonds3

About N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 119300523) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID119300523
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1cc(-c2csc(NC(=O)C3CCNCC3)n2)c(C)o1
InChIInChI=1S/C15H19N3O2S/c1-9-7-12(10(2)20-9)13-8-21-15(17-13)18-14(19)11-3-5-16-6-4-11/h7-8,11,16H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyBZJSIOLSVUWTMF-UHFFFAOYSA-N
XLogP2.96
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]acetamide
CID 47066446
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405721
N-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87406366
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55923041
(2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride
CID 119300524
(2R)-2-(cyclopropylmethoxy)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide
CID 52539367
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87406747
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 119679962
N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 54958477
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4670180
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 55922780
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 52713593

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 119300523) is N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is Cc1cc(-c2csc(NC(=O)C3CCNCC3)n2)c(C)o1.
What is the InChIKey of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is BZJSIOLSVUWTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-7-12(10(2)20-9)13-8-21-15(17-13)18-14(19)11-3-5-16-6-4-11/h7-8,11,16H,3-6H2,1-2H3,(H,17,18,19).
What are the key properties of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 119300523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).