N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-isoquinolin-5-ylacetamide

C18H17N3OS — CID 10268127

IUPACN-(5-cyclobutyl-1,3-thiazol-2-yl)-2-isoquinolin-5-ylacetamide
SMILESO=C(Cc1cccc2cnccc12)Nc1ncc(C2CCC2)s1
InChIInChI=1S/C18H17N3OS/c22-17(21-18-20-11-16(23-18)12-3-1-4-12)9-13-5-2-6-14-10-19-8-7-15(13)14/h2,5-8,10-12H,1,3-4,9H2,(H,20,21,22)
InChIKeyJPWSUSDWOYHFRI-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.14
Rot. Bonds4

About N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-isoquinolin-5-ylacetamide

N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-isoquinolin-5-ylacetamide (PubChem CID 10268127) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-isoquinolin-5-ylacetamide.

Molecular Properties

Compound NameN-(5-cyclobutyl-1,3-thiazol-2-yl)-2-isoquinolin-5-ylacetamide
PubChem CID10268127
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-(5-cyclobutyl-1,3-thiazol-2-yl)-2-isoquinolin-5-ylacetamide
SMILESO=C(Cc1cccc2cnccc12)Nc1ncc(C2CCC2)s1
InChIInChI=1S/C18H17N3OS/c22-17(21-18-20-11-16(23-18)12-3-1-4-12)9-13-5-2-6-14-10-19-8-7-15(13)14/h2,5-8,10-12H,1,3-4,9H2,(H,20,21,22)
InChIKeyJPWSUSDWOYHFRI-UHFFFAOYSA-N
XLogP4.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-isoquinolin-5-ylacetamide?
The IUPAC name of N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-isoquinolin-5-ylacetamide (CID 10268127) is N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-isoquinolin-5-ylacetamide.
What is the SMILES notation for N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-isoquinolin-5-ylacetamide?
The canonical SMILES for N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-isoquinolin-5-ylacetamide is O=C(Cc1cccc2cnccc12)Nc1ncc(C2CCC2)s1.
What is the InChIKey of N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-isoquinolin-5-ylacetamide?
The InChIKey is JPWSUSDWOYHFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c22-17(21-18-20-11-16(23-18)12-3-1-4-12)9-13-5-2-6-14-10-19-8-7-15(13)14/h2,5-8,10-12H,1,3-4,9H2,(H,20,21,22).
What are the key properties of N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-isoquinolin-5-ylacetamide?
N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-isoquinolin-5-ylacetamide has a molecular weight of 323.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-isoquinolin-5-ylacetamide is sourced from PubChem (CID 10268127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).