N-(2-amino-2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride

C12H17Cl2N5OS — CID 119626129

IUPACN-(2-amino-2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCC(C)(N)CNC(=O)c1cnc(-c2ncccn2)s1.Cl.Cl
InChIInChI=1S/C12H15N5OS.2ClH/c1-12(2,13)7-17-10(18)8-6-16-11(19-8)9-14-4-3-5-15-9;;/h3-6H,7,13H2,1-2H3,(H,17,18);2*1H
InChIKeyYAMPSFOBEJPYQZ-UHFFFAOYSA-N
MW350.28 g/mol
LogP1.91
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride

N-(2-amino-2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119626129) has the molecular formula C12H17Cl2N5OS and a molecular weight of 350.28 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119626129
Molecular FormulaC12H17Cl2N5OS
Molecular Weight350.28 g/mol
Exact Mass349.05
IUPAC NameN-(2-amino-2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCC(C)(N)CNC(=O)c1cnc(-c2ncccn2)s1.Cl.Cl
InChIInChI=1S/C12H15N5OS.2ClH/c1-12(2,13)7-17-10(18)8-6-16-11(19-8)9-14-4-3-5-15-9;;/h3-6H,7,13H2,1-2H3,(H,17,18);2*1H
InChIKeyYAMPSFOBEJPYQZ-UHFFFAOYSA-N
XLogP1.91
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-aminobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 119495185
2-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119187616
N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119643597
3-cyclopropyl-3-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 71915559
2-methyl-3-[methyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119228296
N-(4-hydroxy-2,2-dimethylpentyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 111480449
3-ethoxy-2,2-dimethyl-1-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120699864
2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119449848
2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide
CID 111436261
N-[2-(methylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120828248
[4-(ethylaminomethyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119644496
2-N-(2-amino-2-methylpropyl)pyridine-2,5-dicarboxamide;hydrochloride
CID 119627358

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119626129) is N-(2-amino-2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride is CC(C)(N)CNC(=O)c1cnc(-c2ncccn2)s1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is YAMPSFOBEJPYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS.2ClH/c1-12(2,13)7-17-10(18)8-6-16-11(19-8)9-14-4-3-5-15-9;;/h3-6H,7,13H2,1-2H3,(H,17,18);2*1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
N-(2-amino-2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 350.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119626129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).