2-(aminomethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C12H18Cl2N4O2S2 — CID 119900142

IUPAC2-(aminomethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCOC(C)c1nc(CNC(=O)c2csc(CN)n2)cs1.Cl.Cl
InChIInChI=1S/C12H16N4O2S2.2ClH/c1-7(18-2)12-15-8(5-20-12)4-14-11(17)9-6-19-10(3-13)16-9;;/h5-7H,3-4,13H2,1-2H3,(H,14,17);2*1H
InChIKeyWIYYGFIMORXSHA-UHFFFAOYSA-N
MW385.34 g/mol
LogP2.54
Rot. Bonds6

About 2-(aminomethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(aminomethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119900142) has the molecular formula C12H18Cl2N4O2S2 and a molecular weight of 385.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119900142
Molecular FormulaC12H18Cl2N4O2S2
Molecular Weight385.34 g/mol
Exact Mass384.02
IUPAC Name2-(aminomethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCOC(C)c1nc(CNC(=O)c2csc(CN)n2)cs1.Cl.Cl
InChIInChI=1S/C12H16N4O2S2.2ClH/c1-7(18-2)12-15-8(5-20-12)4-14-11(17)9-6-19-10(3-13)16-9;;/h5-7H,3-4,13H2,1-2H3,(H,14,17);2*1H
InChIKeyWIYYGFIMORXSHA-UHFFFAOYSA-N
XLogP2.54
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(aminomethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

3-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]butanamide;dihydrochloride
CID 119900150
2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119784039
2-(aminomethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66380048
2-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide;dihydrochloride
CID 119900104
2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide
CID 115739469
methyl 3-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]butanoate;hydrochloride
CID 119695198
2-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119718237
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66377889
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119900108
methyl (2S,3S)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-3-methylpentanoate;hydrochloride
CID 119748437
2-(aminomethyl)-N-(2-methoxy-2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 119703923
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119900142) is 2-(aminomethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is COC(C)c1nc(CNC(=O)c2csc(CN)n2)cs1.Cl.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is WIYYGFIMORXSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2.2ClH/c1-7(18-2)12-15-8(5-20-12)4-14-11(17)9-6-19-10(3-13)16-9;;/h5-7H,3-4,13H2,1-2H3,(H,14,17);2*1H.
What are the key properties of 2-(aminomethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 385.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119900142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).