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

C21H29N3OS — CID 16674004

IUPAC2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
SMILESCCC(CN1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccccc1
InChIInChI=1S/C21H29N3OS/c1-3-18(15-24-12-8-5-9-13-24)23-20(25)14-19-21(22-16(2)26-19)17-10-6-4-7-11-17/h4,6-7,10-11,18H,3,5,8-9,12-15H2,1-2H3,(H,23,25)
InChIKeyIKOCHHCVEWMIMI-UHFFFAOYSA-N
MW371.55 g/mol
LogP4.04
Rot. Bonds7

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

2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide (PubChem CID 16674004) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
PubChem CID16674004
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC Name2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
SMILESCCC(CN1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccccc1
InChIInChI=1S/C21H29N3OS/c1-3-18(15-24-12-8-5-9-13-24)23-20(25)14-19-21(22-16(2)26-19)17-10-6-4-7-11-17/h4,6-7,10-11,18H,3,5,8-9,12-15H2,1-2H3,(H,23,25)
InChIKeyIKOCHHCVEWMIMI-UHFFFAOYSA-N
XLogP4.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.04
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-piperidin-1-ylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide (CID 16674004) is 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide is CCC(CN1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccccc1.
What is the InChIKey of 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide?
The InChIKey is IKOCHHCVEWMIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-3-18(15-24-12-8-5-9-13-24)23-20(25)14-19-21(22-16(2)26-19)17-10-6-4-7-11-17/h4,6-7,10-11,18H,3,5,8-9,12-15H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide?
2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide has a molecular weight of 371.55 g/mol, XLogP of 4.04, 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-piperidin-1-ylbutan-2-yl)acetamide is sourced from PubChem (CID 16674004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).