2-(furan-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide

C18H18N2O3S — CID 36751815

IUPAC2-(furan-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)c2csc(-c3ccco3)n2)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-5-7-14(8-6-13)22-11-9-20(2)18(21)15-12-24-17(19-15)16-4-3-10-23-16/h3-8,10,12H,9,11H2,1-2H3
InChIKeyLAAOAKBXWSFSNL-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.86
Rot. Bonds6

About 2-(furan-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 36751815) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID36751815
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-(furan-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)c2csc(-c3ccco3)n2)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-5-7-14(8-6-13)22-11-9-20(2)18(21)15-12-24-17(19-15)16-4-3-10-23-16/h3-8,10,12H,9,11H2,1-2H3
InChIKeyLAAOAKBXWSFSNL-UHFFFAOYSA-N
XLogP3.86
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-N-(5-hydroxypentyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 107202197
2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 134058954
N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 36702476
6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 31336264
2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 61021145
N-(2-hydroxyethyl)-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 110886106
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120618211
N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 47022125
methyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate
CID 60766057
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
N-cyclobutyl-2-(furan-2-yl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 102684223
2-(4-methoxyphenyl)-N-methyl-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 55710289

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide (CID 36751815) is 2-(furan-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide is Cc1ccc(OCCN(C)C(=O)c2csc(-c3ccco3)n2)cc1.
What is the InChIKey of 2-(furan-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LAAOAKBXWSFSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-5-7-14(8-6-13)22-11-9-20(2)18(21)15-12-24-17(19-15)16-4-3-10-23-16/h3-8,10,12H,9,11H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 36751815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).