2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

C19H21N3O2S — CID 17456119

IUPAC2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(Cc1csc(N2CCCC2=O)n1)Nc1cccc2c1CCCC2
InChIInChI=1S/C19H21N3O2S/c23-17(21-16-8-3-6-13-5-1-2-7-15(13)16)11-14-12-25-19(20-14)22-10-4-9-18(22)24/h3,6,8,12H,1-2,4-5,7,9-11H2,(H,21,23)
InChIKeyRUPAKCXKWWFNJC-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.33
Rot. Bonds4

About 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 17456119) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
PubChem CID17456119
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(Cc1csc(N2CCCC2=O)n1)Nc1cccc2c1CCCC2
InChIInChI=1S/C19H21N3O2S/c23-17(21-16-8-3-6-13-5-1-2-7-15(13)16)11-14-12-25-19(20-14)22-10-4-9-18(22)24/h3,6,8,12H,1-2,4-5,7,9-11H2,(H,21,23)
InChIKeyRUPAKCXKWWFNJC-UHFFFAOYSA-N
XLogP3.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (CID 17456119) is 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is O=C(Cc1csc(N2CCCC2=O)n1)Nc1cccc2c1CCCC2.
What is the InChIKey of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is RUPAKCXKWWFNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-17(21-16-8-3-6-13-5-1-2-7-15(13)16)11-14-12-25-19(20-14)22-10-4-9-18(22)24/h3,6,8,12H,1-2,4-5,7,9-11H2,(H,21,23).
What are the key properties of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 17456119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).