2-[2-(methoxymethyl)phenyl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C18H22N2O2S — CID 73424678

IUPAC2-[2-(methoxymethyl)phenyl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCOCc1ccccc1CC(=O)N(C)c1nc2c(s1)CCCC2
InChIInChI=1S/C18H22N2O2S/c1-20(18-19-15-9-5-6-10-16(15)23-18)17(21)11-13-7-3-4-8-14(13)12-22-2/h3-4,7-8H,5-6,9-12H2,1-2H3
InChIKeyVMYFIZVLVNSRKO-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.37
Rot. Bonds5

About 2-[2-(methoxymethyl)phenyl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-[2-(methoxymethyl)phenyl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 73424678) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)phenyl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(methoxymethyl)phenyl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID73424678
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-[2-(methoxymethyl)phenyl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCOCc1ccccc1CC(=O)N(C)c1nc2c(s1)CCCC2
InChIInChI=1S/C18H22N2O2S/c1-20(18-19-15-9-5-6-10-16(15)23-18)17(21)11-13-7-3-4-8-14(13)12-22-2/h3-4,7-8H,5-6,9-12H2,1-2H3
InChIKeyVMYFIZVLVNSRKO-UHFFFAOYSA-N
XLogP3.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 70680628
N-methyl-2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71295778
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-3-ylacetamide
CID 70680626
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)acetamide
CID 70698682
2-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71306428
2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 166506910
N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 70698689
N-benzoyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 6737488
2-(2-methoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 52892901
N-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 71295783
trans-[2-[benzyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 9230381
2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 6466381

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)phenyl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(methoxymethyl)phenyl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 73424678) is 2-[2-(methoxymethyl)phenyl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(methoxymethyl)phenyl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(methoxymethyl)phenyl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is COCc1ccccc1CC(=O)N(C)c1nc2c(s1)CCCC2.
What is the InChIKey of 2-[2-(methoxymethyl)phenyl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is VMYFIZVLVNSRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-20(18-19-15-9-5-6-10-16(15)23-18)17(21)11-13-7-3-4-8-14(13)12-22-2/h3-4,7-8H,5-6,9-12H2,1-2H3.
What are the key properties of 2-[2-(methoxymethyl)phenyl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-[2-(methoxymethyl)phenyl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 330.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)phenyl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 73424678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).