3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide

C24H26N4O3S — CID 148828723

IUPAC3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide
SMILESCc1cnc(CNC(=O)c2cc(OC3CCOC3)cc(-c3ncc(C4CCC4)s3)c2)cn1
InChIInChI=1S/C24H26N4O3S/c1-15-10-26-19(11-25-15)12-27-23(29)17-7-18(9-21(8-17)31-20-5-6-30-14-20)24-28-13-22(32-24)16-3-2-4-16/h7-11,13,16,20H,2-6,12,14H2,1H3,(H,27,29)
InChIKeyOTGGBVWXQKXJOW-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.27
Rot. Bonds7

About 3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide

3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide (PubChem CID 148828723) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide.

Molecular Properties

Compound Name3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide
PubChem CID148828723
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide
SMILESCc1cnc(CNC(=O)c2cc(OC3CCOC3)cc(-c3ncc(C4CCC4)s3)c2)cn1
InChIInChI=1S/C24H26N4O3S/c1-15-10-26-19(11-25-15)12-27-23(29)17-7-18(9-21(8-17)31-20-5-6-30-14-20)24-28-13-22(32-24)16-3-2-4-16/h7-11,13,16,20H,2-6,12,14H2,1H3,(H,27,29)
InChIKeyOTGGBVWXQKXJOW-UHFFFAOYSA-N
XLogP4.27
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide?
The IUPAC name of 3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide (CID 148828723) is 3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide.
What is the SMILES notation for 3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide?
The canonical SMILES for 3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide is Cc1cnc(CNC(=O)c2cc(OC3CCOC3)cc(-c3ncc(C4CCC4)s3)c2)cn1.
What is the InChIKey of 3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide?
The InChIKey is OTGGBVWXQKXJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-15-10-26-19(11-25-15)12-27-23(29)17-7-18(9-21(8-17)31-20-5-6-30-14-20)24-28-13-22(32-24)16-3-2-4-16/h7-11,13,16,20H,2-6,12,14H2,1H3,(H,27,29).
What are the key properties of 3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide?
3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide has a molecular weight of 450.56 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclobutyl-1,3-thiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(oxolan-3-yloxy)benzamide is sourced from PubChem (CID 148828723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).