N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid

C23H32N4O8S — CID 118747288

IUPACN,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCc1ccc(CN(CCN(C)C)Cc2c(C)nc3sccn23)o1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C17H24N4OS.C6H8O7/c1-13-5-6-15(22-13)11-20(8-7-19(3)4)12-16-14(2)18-17-21(16)9-10-23-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-6,9-10H,7-8,11-12H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyZVOIESBQVSSMBD-UHFFFAOYSA-N
MW524.60 g/mol
LogP1.92
Rot. Bonds12

About N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid

N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 118747288) has the molecular formula C23H32N4O8S and a molecular weight of 524.60 g/mol. Its IUPAC name is N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID118747288
Molecular FormulaC23H32N4O8S
Molecular Weight524.60 g/mol
Exact Mass524.19
IUPAC NameN,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCc1ccc(CN(CCN(C)C)Cc2c(C)nc3sccn23)o1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C17H24N4OS.C6H8O7/c1-13-5-6-15(22-13)11-20(8-7-19(3)4)12-16-14(2)18-17-21(16)9-10-23-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-6,9-10H,7-8,11-12H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyZVOIESBQVSSMBD-UHFFFAOYSA-N
XLogP1.92
TPSA169.05 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.60
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 118747288) is N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid is Cc1ccc(CN(CCN(C)C)Cc2c(C)nc3sccn23)o1.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is ZVOIESBQVSSMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS.C6H8O7/c1-13-5-6-15(22-13)11-20(8-7-19(3)4)12-16-14(2)18-17-21(16)9-10-23-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-6,9-10H,7-8,11-12H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid?
N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 524.60 g/mol, XLogP of 1.92, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 118747288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).