N-(5-methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

C15H18N2O4S — CID 2091162

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2ncc(C)s2)cc(OC)c1OC
InChIInChI=1S/C15H18N2O4S/c1-9-8-16-15(22-9)17-13(18)7-10-5-11(19-2)14(21-4)12(6-10)20-3/h5-6,8H,7H2,1-4H3,(H,16,17,18)
InChIKeyHLHOLHHDNVDQRZ-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.66
Rot. Bonds6

About N-(5-methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(5-methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 2091162) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID2091162
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2ncc(C)s2)cc(OC)c1OC
InChIInChI=1S/C15H18N2O4S/c1-9-8-16-15(22-9)17-13(18)7-10-5-11(19-2)14(21-4)12(6-10)20-3/h5-6,8H,7H2,1-4H3,(H,16,17,18)
InChIKeyHLHOLHHDNVDQRZ-UHFFFAOYSA-N
XLogP2.66
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 2091162) is N-(5-methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)Nc2ncc(C)s2)cc(OC)c1OC.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is HLHOLHHDNVDQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-9-8-16-15(22-9)17-13(18)7-10-5-11(19-2)14(21-4)12(6-10)20-3/h5-6,8H,7H2,1-4H3,(H,16,17,18).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 322.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 2091162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).