methyl 4-methyl-2-[(2-methyloxolan-3-yl)methylamino]-1,3-thiazole-5-carboxylate

C12H18N2O3S — CID 114106954

IUPACmethyl 4-methyl-2-[(2-methyloxolan-3-yl)methylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCC2CCOC2C)nc1C
InChIInChI=1S/C12H18N2O3S/c1-7-10(11(15)16-3)18-12(14-7)13-6-9-4-5-17-8(9)2/h8-9H,4-6H2,1-3H3,(H,13,14)
InChIKeyBRCXEYVGPJLBSN-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.08
Rot. Bonds4

About methyl 4-methyl-2-[(2-methyloxolan-3-yl)methylamino]-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-[(2-methyloxolan-3-yl)methylamino]-1,3-thiazole-5-carboxylate (PubChem CID 114106954) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-methyloxolan-3-yl)methylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-methyloxolan-3-yl)methylamino]-1,3-thiazole-5-carboxylate
PubChem CID114106954
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Namemethyl 4-methyl-2-[(2-methyloxolan-3-yl)methylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCC2CCOC2C)nc1C
InChIInChI=1S/C12H18N2O3S/c1-7-10(11(15)16-3)18-12(14-7)13-6-9-4-5-17-8(9)2/h8-9H,4-6H2,1-3H3,(H,13,14)
InChIKeyBRCXEYVGPJLBSN-UHFFFAOYSA-N
XLogP2.08
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-methyloxolan-3-yl)methylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[(2-methyloxolan-3-yl)methylamino]-1,3-thiazole-5-carboxylate (CID 114106954) is methyl 4-methyl-2-[(2-methyloxolan-3-yl)methylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[(2-methyloxolan-3-yl)methylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[(2-methyloxolan-3-yl)methylamino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NCC2CCOC2C)nc1C.
What is the InChIKey of methyl 4-methyl-2-[(2-methyloxolan-3-yl)methylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is BRCXEYVGPJLBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-7-10(11(15)16-3)18-12(14-7)13-6-9-4-5-17-8(9)2/h8-9H,4-6H2,1-3H3,(H,13,14).
What are the key properties of methyl 4-methyl-2-[(2-methyloxolan-3-yl)methylamino]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[(2-methyloxolan-3-yl)methylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-methyloxolan-3-yl)methylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 114106954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).