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

C16H18N2O3S — CID 735180

IUPAC2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C16H18N2O3S/c1-20-12-7-3-4-8-13(12)21-10-15(19)18-16-17-11-6-2-5-9-14(11)22-16/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,17,18,19)
InChIKeyUXQBHHXYMFXYAW-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.05
Rot. Bonds5

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

2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 735180) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID735180
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C16H18N2O3S/c1-20-12-7-3-4-8-13(12)21-10-15(19)18-16-17-11-6-2-5-9-14(11)22-16/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,17,18,19)
InChIKeyUXQBHHXYMFXYAW-UHFFFAOYSA-N
XLogP3.05
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 735180) is 2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is COc1ccccc1OCC(=O)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is UXQBHHXYMFXYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-20-12-7-3-4-8-13(12)21-10-15(19)18-16-17-11-6-2-5-9-14(11)22-16/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,17,18,19).
What are the key properties of 2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 318.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 735180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).