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

C18H18N2O3S — CID 33401450

IUPACN-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)NCc3ccco3)sc2C)cc1
InChIInChI=1S/C18H18N2O3S/c1-12-18(13-5-7-14(22-2)8-6-13)20-17(24-12)10-16(21)19-11-15-4-3-9-23-15/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyXOGJPCQFNIGEQW-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.58
Rot. Bonds6

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

N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 33401450) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID33401450
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)NCc3ccco3)sc2C)cc1
InChIInChI=1S/C18H18N2O3S/c1-12-18(13-5-7-14(22-2)8-6-13)20-17(24-12)10-16(21)19-11-15-4-3-9-23-15/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyXOGJPCQFNIGEQW-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (CID 33401450) is N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2nc(CC(=O)NCc3ccco3)sc2C)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is XOGJPCQFNIGEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-18(13-5-7-14(22-2)8-6-13)20-17(24-12)10-16(21)19-11-15-4-3-9-23-15/h3-9H,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 33401450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).