1-hydroxy-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C17H20N2O2S — CID 136530583

IUPAC1-hydroxy-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCN(CCc1nccs1)C(=O)c1ccc2c(c1O)CCCC2
InChIInChI=1S/C17H20N2O2S/c1-19(10-8-15-18-9-11-22-15)17(21)14-7-6-12-4-2-3-5-13(12)16(14)20/h6-7,9,11,20H,2-5,8,10H2,1H3
InChIKeyZLBWFRVNWYYBDD-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.04
Rot. Bonds4

About 1-hydroxy-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

1-hydroxy-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 136530583) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-hydroxy-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID136530583
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-hydroxy-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCN(CCc1nccs1)C(=O)c1ccc2c(c1O)CCCC2
InChIInChI=1S/C17H20N2O2S/c1-19(10-8-15-18-9-11-22-15)17(21)14-7-6-12-4-2-3-5-13(12)16(14)20/h6-7,9,11,20H,2-5,8,10H2,1H3
InChIKeyZLBWFRVNWYYBDD-UHFFFAOYSA-N
XLogP3.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 136530583) is 1-hydroxy-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CN(CCc1nccs1)C(=O)c1ccc2c(c1O)CCCC2.
What is the InChIKey of 1-hydroxy-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is ZLBWFRVNWYYBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-19(10-8-15-18-9-11-22-15)17(21)14-7-6-12-4-2-3-5-13(12)16(14)20/h6-7,9,11,20H,2-5,8,10H2,1H3.
What are the key properties of 1-hydroxy-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
1-hydroxy-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 136530583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).