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

C10H14N2O3S — CID 82736702

IUPACmethyl 2-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC2CCOC2C)n1
InChIInChI=1S/C10H14N2O3S/c1-6-7(3-4-15-6)11-10-12-8(5-16-10)9(13)14-2/h5-7H,3-4H2,1-2H3,(H,11,12)
InChIKeyPQMWLBSTYGVMCT-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.52
Rot. Bonds3

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

methyl 2-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 82736702) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is methyl 2-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
PubChem CID82736702
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Namemethyl 2-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC2CCOC2C)n1
InChIInChI=1S/C10H14N2O3S/c1-6-7(3-4-15-6)11-10-12-8(5-16-10)9(13)14-2/h5-7H,3-4H2,1-2H3,(H,11,12)
InChIKeyPQMWLBSTYGVMCT-UHFFFAOYSA-N
XLogP1.52
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate (CID 82736702) is methyl 2-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(NC2CCOC2C)n1.
What is the InChIKey of methyl 2-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is PQMWLBSTYGVMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-6-7(3-4-15-6)11-10-12-8(5-16-10)9(13)14-2/h5-7H,3-4H2,1-2H3,(H,11,12).
What are the key properties of methyl 2-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate?
methyl 2-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 242.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 82736702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).