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

C13H22N4O2S — CID 103384743

IUPACmethyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C13H22N4O2S/c1-16(2)13(6-5-7-13)8-17(3)11-9(12(18)19-4)10(14)15-20-11/h5-8H2,1-4H3,(H2,14,15)
InChIKeyARWMXUZFTZLAER-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.43
Rot. Bonds5

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

methyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate (PubChem CID 103384743) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is methyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate
PubChem CID103384743
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Namemethyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C13H22N4O2S/c1-16(2)13(6-5-7-13)8-17(3)11-9(12(18)19-4)10(14)15-20-11/h5-8H2,1-4H3,(H2,14,15)
InChIKeyARWMXUZFTZLAER-UHFFFAOYSA-N
XLogP1.43
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate
CID 103384742
methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate
CID 103379639
methyl 3-amino-5-[methyl(oxan-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103381952
methyl 3-amino-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate
CID 103380339
methyl 3-amino-5-[ethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate
CID 103381492
methyl 3-amino-5-[cyclopropyl(cyclopropylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103382089
methyl 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 105420744
methyl 3-amino-5-[(1-hydroxycyclohexyl)methylamino]-1,2-thiazole-4-carboxylate
CID 103378868
5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103365871
methyl 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 103379735
ethyl 3-amino-5-[cyclohexylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate
CID 103380786
methyl 3-amino-5-[pentyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate
CID 103380452

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate (CID 103384743) is methyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate is COC(=O)c1c(N)nsc1N(C)CC1(N(C)C)CCC1.
What is the InChIKey of methyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate?
The InChIKey is ARWMXUZFTZLAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-16(2)13(6-5-7-13)8-17(3)11-9(12(18)19-4)10(14)15-20-11/h5-8H2,1-4H3,(H2,14,15).
What are the key properties of methyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate?
methyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate has a molecular weight of 298.41 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103384743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).