2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C17H20N2O2S — CID 70680628

IUPAC2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccccc1CC(=O)N(C)c1nc2c(s1)CCCC2
InChIInChI=1S/C17H20N2O2S/c1-19(17-18-13-8-4-6-10-15(13)22-17)16(20)11-12-7-3-5-9-14(12)21-2/h3,5,7,9H,4,6,8,10-11H2,1-2H3
InChIKeyZCNFSYOQAUCLHP-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.24
Rot. Bonds4

About 2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 70680628) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID70680628
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccccc1CC(=O)N(C)c1nc2c(s1)CCCC2
InChIInChI=1S/C17H20N2O2S/c1-19(17-18-13-8-4-6-10-15(13)22-17)16(20)11-12-7-3-5-9-14(12)21-2/h3,5,7,9H,4,6,8,10-11H2,1-2H3
InChIKeyZCNFSYOQAUCLHP-UHFFFAOYSA-N
XLogP3.24
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methoxymethyl)phenyl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 73424678
N-methyl-2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71295778
2-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71306428
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-3-ylacetamide
CID 70680626
2-(2-methoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 52892901
2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5107128
N-benzoyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 6737488
(2R)-2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 42278896
2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide
CID 71910234
2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977099
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 56782372
N-(azetidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 66188008

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 70680628) is 2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is COc1ccccc1CC(=O)N(C)c1nc2c(s1)CCCC2.
What is the InChIKey of 2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is ZCNFSYOQAUCLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-19(17-18-13-8-4-6-10-15(13)22-17)16(20)11-12-7-3-5-9-14(12)21-2/h3,5,7,9H,4,6,8,10-11H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 316.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 70680628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).