2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide

C17H20N2O2S — CID 47072614

IUPAC2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc2c(c1)CCCC2CC(=O)N(C)c1nccs1
InChIInChI=1S/C17H20N2O2S/c1-19(17-18-8-9-22-17)16(20)11-13-5-3-4-12-10-14(21-2)6-7-15(12)13/h6-10,13H,3-5,11H2,1-2H3
InChIKeySRZFAOFKDKCESJ-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.62
Rot. Bonds4

About 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide

2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 47072614) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID47072614
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc2c(c1)CCCC2CC(=O)N(C)c1nccs1
InChIInChI=1S/C17H20N2O2S/c1-19(17-18-8-9-22-17)16(20)11-13-5-3-4-12-10-14(21-2)6-7-15(12)13/h6-10,13H,3-5,11H2,1-2H3
InChIKeySRZFAOFKDKCESJ-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide (CID 47072614) is 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide is COc1ccc2c(c1)CCCC2CC(=O)N(C)c1nccs1.
What is the InChIKey of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SRZFAOFKDKCESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-19(17-18-8-9-22-17)16(20)11-13-5-3-4-12-10-14(21-2)6-7-15(12)13/h6-10,13H,3-5,11H2,1-2H3.
What are the key properties of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 316.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 47072614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).