N-(1-amino-2,4-dimethylpentan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride

C14H27Cl2N3OS — CID 119600390

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCCCc1ncc(C(=O)NC(C)(CN)CC(C)C)s1.Cl.Cl
InChIInChI=1S/C14H25N3OS.2ClH/c1-5-6-12-16-8-11(19-12)13(18)17-14(4,9-15)7-10(2)3;;/h8,10H,5-7,9,15H2,1-4H3,(H,17,18);2*1H
InChIKeyMMWAWOBQLWDZEK-UHFFFAOYSA-N
MW356.36 g/mol
LogP3.43
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119600390) has the molecular formula C14H27Cl2N3OS and a molecular weight of 356.36 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119600390
Molecular FormulaC14H27Cl2N3OS
Molecular Weight356.36 g/mol
Exact Mass355.13
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCCCc1ncc(C(=O)NC(C)(CN)CC(C)C)s1.Cl.Cl
InChIInChI=1S/C14H25N3OS.2ClH/c1-5-6-12-16-8-11(19-12)13(18)17-14(4,9-15)7-10(2)3;;/h8,10H,5-7,9,15H2,1-4H3,(H,17,18);2*1H
InChIKeyMMWAWOBQLWDZEK-UHFFFAOYSA-N
XLogP3.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119576047
N-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119499749
(2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 119363034
N-(1-amino-2,4-dimethylpentan-2-yl)pyrazine-2-carboxamide;dihydrochloride
CID 119599671
(2S)-3-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119359365
N-(1-amino-2,4-dimethylpentan-2-yl)pyridine-4-carboxamide;dihydrochloride
CID 119598163
N-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 120650729
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119598585
2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 48571573
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-difluorobenzamide;hydrochloride
CID 119597433
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305
N-(1-amino-2,4-dimethylpentan-2-yl)-4-propan-2-ylbenzamide;hydrochloride
CID 119600058

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119600390) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride is CCCc1ncc(C(=O)NC(C)(CN)CC(C)C)s1.Cl.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is MMWAWOBQLWDZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS.2ClH/c1-5-6-12-16-8-11(19-12)13(18)17-14(4,9-15)7-10(2)3;;/h8,10H,5-7,9,15H2,1-4H3,(H,17,18);2*1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 356.36 g/mol, XLogP of 3.43, 7 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)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119600390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).