2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide

C20H27N3OS — CID 16673772

IUPAC2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide
SMILESCCC(CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccccc1
InChIInChI=1S/C20H27N3OS/c1-3-17(14-23-11-7-8-12-23)22-19(24)13-18-20(21-15(2)25-18)16-9-5-4-6-10-16/h4-6,9-10,17H,3,7-8,11-14H2,1-2H3,(H,22,24)
InChIKeyGBGIAMASRSGOEJ-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.65
Rot. Bonds7

About 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide

2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide (PubChem CID 16673772) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide
PubChem CID16673772
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide
SMILESCCC(CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccccc1
InChIInChI=1S/C20H27N3OS/c1-3-17(14-23-11-7-8-12-23)22-19(24)13-18-20(21-15(2)25-18)16-9-5-4-6-10-16/h4-6,9-10,17H,3,7-8,11-14H2,1-2H3,(H,22,24)
InChIKeyGBGIAMASRSGOEJ-UHFFFAOYSA-N
XLogP3.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide (CID 16673772) is 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide is CCC(CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccccc1.
What is the InChIKey of 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide?
The InChIKey is GBGIAMASRSGOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-3-17(14-23-11-7-8-12-23)22-19(24)13-18-20(21-15(2)25-18)16-9-5-4-6-10-16/h4-6,9-10,17H,3,7-8,11-14H2,1-2H3,(H,22,24).
What are the key properties of 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide?
2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide has a molecular weight of 357.52 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide is sourced from PubChem (CID 16673772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).