oxan-4-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate

C10H14N2O3S — CID 79391033

IUPACoxan-4-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
SMILESCc1nsc(N)c1C(=O)OC1CCOCC1
InChIInChI=1S/C10H14N2O3S/c1-6-8(9(11)16-12-6)10(13)15-7-2-4-14-5-3-7/h7H,2-5,11H2,1H3
InChIKeyUKNTXEMQPITKBP-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.37
Rot. Bonds2

About oxan-4-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate

oxan-4-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 79391033) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is oxan-4-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameoxan-4-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID79391033
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nameoxan-4-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
SMILESCc1nsc(N)c1C(=O)OC1CCOCC1
InChIInChI=1S/C10H14N2O3S/c1-6-8(9(11)16-12-6)10(13)15-7-2-4-14-5-3-7/h7H,2-5,11H2,1H3
InChIKeyUKNTXEMQPITKBP-UHFFFAOYSA-N
XLogP1.37
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of oxan-4-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate (CID 79391033) is oxan-4-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for oxan-4-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for oxan-4-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate is Cc1nsc(N)c1C(=O)OC1CCOCC1.
What is the InChIKey of oxan-4-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is UKNTXEMQPITKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-6-8(9(11)16-12-6)10(13)15-7-2-4-14-5-3-7/h7H,2-5,11H2,1H3.
What are the key properties of oxan-4-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
oxan-4-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 242.30 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 79391033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).