N-(2-amino-2-ethylbutyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride

C15H29Cl2N3OS — CID 119644030

IUPACN-(2-amino-2-ethylbutyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)c1sc(C)nc1CC(C)C.Cl.Cl
InChIInChI=1S/C15H27N3OS.2ClH/c1-6-15(16,7-2)9-17-14(19)13-12(8-10(3)4)18-11(5)20-13;;/h10H,6-9,16H2,1-5H3,(H,17,19);2*1H
InChIKeyUNNYTNHKJJCDTC-UHFFFAOYSA-N
MW370.39 g/mol
LogP3.74
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride

N-(2-amino-2-ethylbutyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119644030) has the molecular formula C15H29Cl2N3OS and a molecular weight of 370.39 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119644030
Molecular FormulaC15H29Cl2N3OS
Molecular Weight370.39 g/mol
Exact Mass369.14
IUPAC NameN-(2-amino-2-ethylbutyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)c1sc(C)nc1CC(C)C.Cl.Cl
InChIInChI=1S/C15H27N3OS.2ClH/c1-6-15(16,7-2)9-17-14(19)13-12(8-10(3)4)18-11(5)20-13;;/h10H,6-9,16H2,1-5H3,(H,17,19);2*1H
InChIKeyUNNYTNHKJJCDTC-UHFFFAOYSA-N
XLogP3.74
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 119630789
N-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 113265867
1-[[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544503
N-(6-amino-3-pyridinyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119516597
3-[2-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]ethyl]benzoic acid
CID 120535501
2-methyl-4-(2-methylpropyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazole-5-carboxamide
CID 119037284
N-(2-amino-2-ethylbutyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119639748
(2R)-2-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride
CID 119339118
2-methyl-2-[4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]phenyl]propanoic acid
CID 120528726
2-methyl-2-[4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid
CID 120696748
ethyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]acetate
CID 47257222
N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113283180

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119644030) is N-(2-amino-2-ethylbutyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride is CCC(N)(CC)CNC(=O)c1sc(C)nc1CC(C)C.Cl.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is UNNYTNHKJJCDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS.2ClH/c1-6-15(16,7-2)9-17-14(19)13-12(8-10(3)4)18-11(5)20-13;;/h10H,6-9,16H2,1-5H3,(H,17,19);2*1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
N-(2-amino-2-ethylbutyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 370.39 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119644030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).