2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)pentanamide

C14H23N3O3S — CID 72649627

IUPAC2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)pentanamide
SMILESCCCC(NC(=O)C(O)C(C)C)C(=O)Nc1ncc(C)s1
InChIInChI=1S/C14H23N3O3S/c1-5-6-10(16-13(20)11(18)8(2)3)12(19)17-14-15-7-9(4)21-14/h7-8,10-11,18H,5-6H2,1-4H3,(H,16,20)(H,15,17,19)
InChIKeyXSSSRRSLODJGFE-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.69
Rot. Bonds7

About 2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)pentanamide

2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)pentanamide (PubChem CID 72649627) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)pentanamide
PubChem CID72649627
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)pentanamide
SMILESCCCC(NC(=O)C(O)C(C)C)C(=O)Nc1ncc(C)s1
InChIInChI=1S/C14H23N3O3S/c1-5-6-10(16-13(20)11(18)8(2)3)12(19)17-14-15-7-9(4)21-14/h7-8,10-11,18H,5-6H2,1-4H3,(H,16,20)(H,15,17,19)
InChIKeyXSSSRRSLODJGFE-UHFFFAOYSA-N
XLogP1.69
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)pentanamide 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 2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)pentanamide (CID 72649627) is 2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)pentanamide is CCCC(NC(=O)C(O)C(C)C)C(=O)Nc1ncc(C)s1.
What is the InChIKey of 2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)pentanamide?
The InChIKey is XSSSRRSLODJGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-5-6-10(16-13(20)11(18)8(2)3)12(19)17-14-15-7-9(4)21-14/h7-8,10-11,18H,5-6H2,1-4H3,(H,16,20)(H,15,17,19).
What are the key properties of 2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)pentanamide?
2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)pentanamide has a molecular weight of 313.42 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 72649627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).