N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C16H21N3O2S — CID 110002674

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C16H21N3O2S/c1-3-16(2,6-8-20)19-14(21)9-13-11-22-15(18-13)12-5-4-7-17-10-12/h4-5,7,10-11,20H,3,6,8-9H2,1-2H3,(H,19,21)
InChIKeyHKSWLPKZCILIQU-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.41
Rot. Bonds7

About N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 110002674) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID110002674
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C16H21N3O2S/c1-3-16(2,6-8-20)19-14(21)9-13-11-22-15(18-13)12-5-4-7-17-10-12/h4-5,7,10-11,20H,3,6,8-9H2,1-2H3,(H,19,21)
InChIKeyHKSWLPKZCILIQU-UHFFFAOYSA-N
XLogP2.41
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 110002674) is N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is CCC(C)(CCO)NC(=O)Cc1csc(-c2cccnc2)n1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is HKSWLPKZCILIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-16(2,6-8-20)19-14(21)9-13-11-22-15(18-13)12-5-4-7-17-10-12/h4-5,7,10-11,20H,3,6,8-9H2,1-2H3,(H,19,21).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 110002674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).