N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide

C18H18N2O3S — CID 121123570

IUPACN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide
SMILESCc1nc(-c2ccco2)sc1CNC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C18H18N2O3S/c1-12-16(24-18(20-12)15-9-6-10-22-15)11-19-17(21)13(2)23-14-7-4-3-5-8-14/h3-10,13H,11H2,1-2H3,(H,19,21)
InChIKeyIXGSFTJARYLNMI-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.80
Rot. Bonds6

About N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide

N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide (PubChem CID 121123570) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide
PubChem CID121123570
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide
SMILESCc1nc(-c2ccco2)sc1CNC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C18H18N2O3S/c1-12-16(24-18(20-12)15-9-6-10-22-15)11-19-17(21)13(2)23-14-7-4-3-5-8-14/h3-10,13H,11H2,1-2H3,(H,19,21)
InChIKeyIXGSFTJARYLNMI-UHFFFAOYSA-N
XLogP3.80
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbutanamide
CID 121123522
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-methoxyphenoxy)propanamide
CID 71795609
2-(2-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
CID 121123607
1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea
CID 121123827
2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
CID 121123478
1-(3,5-dimethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123831
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62699846
1-(2-ethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123829
1-[(4-fluorophenyl)methyl]-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 71795691
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanecarboxamide
CID 121123450
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazine-2-carboxamide
CID 121123691
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzamide
CID 121123528

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide?
The IUPAC name of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide (CID 121123570) is N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide?
The canonical SMILES for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide is Cc1nc(-c2ccco2)sc1CNC(=O)C(C)Oc1ccccc1.
What is the InChIKey of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide?
The InChIKey is IXGSFTJARYLNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-16(24-18(20-12)15-9-6-10-22-15)11-19-17(21)13(2)23-14-7-4-3-5-8-14/h3-10,13H,11H2,1-2H3,(H,19,21).
What are the key properties of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide?
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide has a molecular weight of 342.42 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide is sourced from PubChem (CID 121123570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).