2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride

C10H19Cl2N3OS — CID 120826574

IUPAC2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1sc(C)nc1C.Cl.Cl
InChIInChI=1S/C10H17N3OS.2ClH/c1-6(11-4)5-12-10(14)9-7(2)13-8(3)15-9;;/h6,11H,5H2,1-4H3,(H,12,14);2*1H
InChIKeyJJAIJOAWAKNVDA-UHFFFAOYSA-N
MW300.26 g/mol
LogP1.94
Rot. Bonds4

About 2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride

2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 120826574) has the molecular formula C10H19Cl2N3OS and a molecular weight of 300.26 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID120826574
Molecular FormulaC10H19Cl2N3OS
Molecular Weight300.26 g/mol
Exact Mass299.06
IUPAC Name2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1sc(C)nc1C.Cl.Cl
InChIInChI=1S/C10H17N3OS.2ClH/c1-6(11-4)5-12-10(14)9-7(2)13-8(3)15-9;;/h6,11H,5H2,1-4H3,(H,12,14);2*1H
InChIKeyJJAIJOAWAKNVDA-UHFFFAOYSA-N
XLogP1.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120828278
N-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103771231
N-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120506203
N-(2-bromo-3-ethylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 114168808
N-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43394006
N-(2-cyclopentyl-2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 111426342
3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 43240530
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 111422767
N-(2-bromoprop-2-enyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 115594438
4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide
CID 120831305
5-N-[(2R)-3-amino-2-methyl-3-oxopropyl]-2-N,4-dimethyl-1,3-thiazole-2,5-dicarboxamide
CID 177229924
(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 78972825

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of 2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride (CID 120826574) is 2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride is CNC(C)CNC(=O)c1sc(C)nc1C.Cl.Cl.
What is the InChIKey of 2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is JJAIJOAWAKNVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS.2ClH/c1-6(11-4)5-12-10(14)9-7(2)13-8(3)15-9;;/h6,11H,5H2,1-4H3,(H,12,14);2*1H.
What are the key properties of 2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride?
2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 300.26 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 120826574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).