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

C18H18N2O2S — CID 2127084

IUPACN-(furan-2-ylmethyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
SMILESCc1ccc(-c2nc(C)sc2CC(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H18N2O2S/c1-12-5-7-14(8-6-12)18-16(23-13(2)20-18)10-17(21)19-11-15-4-3-9-22-15/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyVJHQTJSYMUTMEZ-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.88
Rot. Bonds5

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

N-(furan-2-ylmethyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 2127084) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
PubChem CID2127084
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(furan-2-ylmethyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
SMILESCc1ccc(-c2nc(C)sc2CC(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H18N2O2S/c1-12-5-7-14(8-6-12)18-16(23-13(2)20-18)10-17(21)19-11-15-4-3-9-22-15/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyVJHQTJSYMUTMEZ-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide (CID 2127084) is N-(furan-2-ylmethyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide is Cc1ccc(-c2nc(C)sc2CC(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The InChIKey is VJHQTJSYMUTMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-12-5-7-14(8-6-12)18-16(23-13(2)20-18)10-17(21)19-11-15-4-3-9-22-15/h3-9H,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
N-(furan-2-ylmethyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 326.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 2127084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).