methyl 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carboxylate

C13H24N4O2S — CID 103379735

IUPACmethyl 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1N(CCN(C)C)CC(C)C
InChIInChI=1S/C13H24N4O2S/c1-9(2)8-17(7-6-16(3)4)12-10(13(18)19-5)11(14)15-20-12/h9H,6-8H2,1-5H3,(H2,14,15)
InChIKeyLPIOQPIMIXOEJI-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.54
Rot. Bonds7

About methyl 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carboxylate

methyl 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carboxylate (PubChem CID 103379735) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is methyl 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carboxylate
PubChem CID103379735
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Namemethyl 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1N(CCN(C)C)CC(C)C
InChIInChI=1S/C13H24N4O2S/c1-9(2)8-17(7-6-16(3)4)12-10(13(18)19-5)11(14)15-20-12/h9H,6-8H2,1-5H3,(H2,14,15)
InChIKeyLPIOQPIMIXOEJI-UHFFFAOYSA-N
XLogP1.54
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carboxylate (CID 103379735) is methyl 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carboxylate is COC(=O)c1c(N)nsc1N(CCN(C)C)CC(C)C.
What is the InChIKey of methyl 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carboxylate?
The InChIKey is LPIOQPIMIXOEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-9(2)8-17(7-6-16(3)4)12-10(13(18)19-5)11(14)15-20-12/h9H,6-8H2,1-5H3,(H2,14,15).
What are the key properties of methyl 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carboxylate?
methyl 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carboxylate has a molecular weight of 300.43 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103379735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).