N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride

C13H25Cl2N3OS — CID 119655240

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(C)c1nc(C(=O)N(C)CC(C)(C)CN)cs1.Cl.Cl
InChIInChI=1S/C13H23N3OS.2ClH/c1-9(2)11-15-10(6-18-11)12(17)16(5)8-13(3,4)7-14;;/h6,9H,7-8,14H2,1-5H3;2*1H
InChIKeyPXQIJYQRENTBEQ-UHFFFAOYSA-N
MW342.34 g/mol
LogP3.17
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119655240) has the molecular formula C13H25Cl2N3OS and a molecular weight of 342.34 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119655240
Molecular FormulaC13H25Cl2N3OS
Molecular Weight342.34 g/mol
Exact Mass341.11
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(C)c1nc(C(=O)N(C)CC(C)(C)CN)cs1.Cl.Cl
InChIInChI=1S/C13H23N3OS.2ClH/c1-9(2)11-15-10(6-18-11)12(17)16(5)8-13(3,4)7-14;;/h6,9H,7-8,14H2,1-5H3;2*1H
InChIKeyPXQIJYQRENTBEQ-UHFFFAOYSA-N
XLogP3.17
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-(5-bromothiophen-2-yl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119655809
N-(3-amino-2,2-dimethylpropyl)-2-(2-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 119656374
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119652672
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 79378500
N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 79652972
N-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119407394
N-(3-amino-2,2-dimethylpropyl)-N-methylthiadiazole-5-carboxamide
CID 79652392
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119652843
2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66377451
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoxaline-2-carboxamide
CID 103807675
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119652439

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119655240) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride is CC(C)c1nc(C(=O)N(C)CC(C)(C)CN)cs1.Cl.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is PXQIJYQRENTBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS.2ClH/c1-9(2)11-15-10(6-18-11)12(17)16(5)8-13(3,4)7-14;;/h6,9H,7-8,14H2,1-5H3;2*1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 342.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119655240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).