N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide

C15H27N3OS — CID 119598146

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide
SMILESCc1nc(CCCC(=O)NC(C)(CN)CC(C)C)cs1
InChIInChI=1S/C15H27N3OS/c1-11(2)8-15(4,10-16)18-14(19)7-5-6-13-9-20-12(3)17-13/h9,11H,5-8,10,16H2,1-4H3,(H,18,19)
InChIKeyJFKMRUFWLGUWCG-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.65
Rot. Bonds8

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide

N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide (PubChem CID 119598146) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide
PubChem CID119598146
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide
SMILESCc1nc(CCCC(=O)NC(C)(CN)CC(C)C)cs1
InChIInChI=1S/C15H27N3OS/c1-11(2)8-15(4,10-16)18-14(19)7-5-6-13-9-20-12(3)17-13/h9,11H,5-8,10,16H2,1-4H3,(H,18,19)
InChIKeyJFKMRUFWLGUWCG-UHFFFAOYSA-N
XLogP2.65
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]propanoic acid
CID 119369704
3-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]butanoic acid
CID 119347689
N-(3-aminobutyl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide;dihydrochloride
CID 119495976
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide
CID 119599230
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119600151
N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide
CID 115737471
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119598588
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride
CID 119599384
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
CID 119598856
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide
CID 119599057
1-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]cyclopropane-1-carboxylic acid
CID 120530435
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-methylphenoxy)butanamide
CID 119598722

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide (CID 119598146) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide is Cc1nc(CCCC(=O)NC(C)(CN)CC(C)C)cs1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide?
The InChIKey is JFKMRUFWLGUWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-11(2)8-15(4,10-16)18-14(19)7-5-6-13-9-20-12(3)17-13/h9,11H,5-8,10,16H2,1-4H3,(H,18,19).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide has a molecular weight of 297.47 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide is sourced from PubChem (CID 119598146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).