N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride

C14H26ClN3O2S — CID 119599384

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride
SMILESCc1csc(=O)n1CCC(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C14H25N3O2S.ClH/c1-10(2)7-14(4,9-15)16-12(18)5-6-17-11(3)8-20-13(17)19;/h8,10H,5-7,9,15H2,1-4H3,(H,16,18);1H
InChIKeyFXMDYOIPJBXTCL-UHFFFAOYSA-N
MW335.90 g/mol
LogP1.91
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride (PubChem CID 119599384) has the molecular formula C14H26ClN3O2S and a molecular weight of 335.90 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride
PubChem CID119599384
Molecular FormulaC14H26ClN3O2S
Molecular Weight335.90 g/mol
Exact Mass335.14
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride
SMILESCc1csc(=O)n1CCC(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C14H25N3O2S.ClH/c1-10(2)7-14(4,9-15)16-12(18)5-6-17-11(3)8-20-13(17)19;/h8,10H,5-7,9,15H2,1-4H3,(H,16,18);1H
InChIKeyFXMDYOIPJBXTCL-UHFFFAOYSA-N
XLogP1.91
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.90
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride (CID 119599384) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride is Cc1csc(=O)n1CCC(=O)NC(C)(CN)CC(C)C.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride?
The InChIKey is FXMDYOIPJBXTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S.ClH/c1-10(2)7-14(4,9-15)16-12(18)5-6-17-11(3)8-20-13(17)19;/h8,10H,5-7,9,15H2,1-4H3,(H,16,18);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride has a molecular weight of 335.90 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 119599384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).