2-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide

C18H18N2O2S — CID 86950398

IUPAC2-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(CNC(=O)c2csc(Cc3ccccc3)n2)c(C)o1
InChIInChI=1S/C18H18N2O2S/c1-12-8-15(13(2)22-12)10-19-18(21)16-11-23-17(20-16)9-14-6-4-3-5-7-14/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyHSNIKUOZPWGPJB-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.87
Rot. Bonds5

About 2-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide

2-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 86950398) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID86950398
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name2-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(CNC(=O)c2csc(Cc3ccccc3)n2)c(C)o1
InChIInChI=1S/C18H18N2O2S/c1-12-8-15(13(2)22-12)10-19-18(21)16-11-23-17(20-16)9-14-6-4-3-5-7-14/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyHSNIKUOZPWGPJB-UHFFFAOYSA-N
XLogP3.87
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
2-benzyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 70739356
N-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90536099
2-benzyl-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 70720403
2-benzyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 70713753
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzyl-1,3-thiazole-4-carboxamide
CID 38738978
2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 110436454
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide
CID 110465250
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300
6-[(2-benzyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 119220206
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119405606

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide (CID 86950398) is 2-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1cc(CNC(=O)c2csc(Cc3ccccc3)n2)c(C)o1.
What is the InChIKey of 2-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HSNIKUOZPWGPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-12-8-15(13(2)22-12)10-19-18(21)16-11-23-17(20-16)9-14-6-4-3-5-7-14/h3-8,11H,9-10H2,1-2H3,(H,19,21).
What are the key properties of 2-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide?
2-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86950398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).