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

C16H20N2O4S — CID 91780378

IUPAC2-hydroxy-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOCc1nc(C)c(CNC(=O)C(O)c2ccc(OC)cc2)s1
InChIInChI=1S/C16H20N2O4S/c1-10-13(23-14(18-10)9-21-2)8-17-16(20)15(19)11-4-6-12(22-3)7-5-11/h4-7,15,19H,8-9H2,1-3H3,(H,17,20)
InChIKeyNFBNGGXBAJQTPP-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.96
Rot. Bonds7

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

2-hydroxy-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 91780378) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-hydroxy-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide
PubChem CID91780378
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2-hydroxy-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOCc1nc(C)c(CNC(=O)C(O)c2ccc(OC)cc2)s1
InChIInChI=1S/C16H20N2O4S/c1-10-13(23-14(18-10)9-21-2)8-17-16(20)15(19)11-4-6-12(22-3)7-5-11/h4-7,15,19H,8-9H2,1-3H3,(H,17,20)
InChIKeyNFBNGGXBAJQTPP-UHFFFAOYSA-N
XLogP1.96
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-hydroxy-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide (CID 91780378) is 2-hydroxy-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-hydroxy-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-hydroxy-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide is COCc1nc(C)c(CNC(=O)C(O)c2ccc(OC)cc2)s1.
What is the InChIKey of 2-hydroxy-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is NFBNGGXBAJQTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-10-13(23-14(18-10)9-21-2)8-17-16(20)15(19)11-4-6-12(22-3)7-5-11/h4-7,15,19H,8-9H2,1-3H3,(H,17,20).
What are the key properties of 2-hydroxy-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide?
2-hydroxy-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 336.41 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 91780378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).