methyl 3-amino-5-[methyl(oxan-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate

C12H19N3O3S — CID 103381952

IUPACmethyl 3-amino-5-[methyl(oxan-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1N(C)CC1CCOCC1
InChIInChI=1S/C12H19N3O3S/c1-15(7-8-3-5-18-6-4-8)11-9(12(16)17-2)10(13)14-19-11/h8H,3-7H2,1-2H3,(H2,13,14)
InChIKeyUVTBSZWWHRFMBT-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.37
Rot. Bonds4

About methyl 3-amino-5-[methyl(oxan-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate

methyl 3-amino-5-[methyl(oxan-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate (PubChem CID 103381952) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is methyl 3-amino-5-[methyl(oxan-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[methyl(oxan-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate
PubChem CID103381952
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Namemethyl 3-amino-5-[methyl(oxan-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1N(C)CC1CCOCC1
InChIInChI=1S/C12H19N3O3S/c1-15(7-8-3-5-18-6-4-8)11-9(12(16)17-2)10(13)14-19-11/h8H,3-7H2,1-2H3,(H2,13,14)
InChIKeyUVTBSZWWHRFMBT-UHFFFAOYSA-N
XLogP1.37
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.37
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-[methyl(oxan-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-[methyl(oxan-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate (CID 103381952) is methyl 3-amino-5-[methyl(oxan-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[methyl(oxan-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-[methyl(oxan-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate is COC(=O)c1c(N)nsc1N(C)CC1CCOCC1.
What is the InChIKey of methyl 3-amino-5-[methyl(oxan-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate?
The InChIKey is UVTBSZWWHRFMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-15(7-8-3-5-18-6-4-8)11-9(12(16)17-2)10(13)14-19-11/h8H,3-7H2,1-2H3,(H2,13,14).
What are the key properties of methyl 3-amino-5-[methyl(oxan-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate?
methyl 3-amino-5-[methyl(oxan-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate has a molecular weight of 285.37 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[methyl(oxan-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103381952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).