furan-3-ylmethyl 2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxylate

C13H13NO4S — CID 97247375

IUPACfuran-3-ylmethyl 2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxylate
SMILESO=C(OCc1ccoc1)c1cnc([C@H]2CCCO2)s1
InChIInChI=1S/C13H13NO4S/c15-13(18-8-9-3-5-16-7-9)11-6-14-12(19-11)10-2-1-4-17-10/h3,5-7,10H,1-2,4,8H2/t10-/m1/s1
InChIKeyMNCNVRNASMWZTQ-SNVBAGLBSA-N
MW279.32 g/mol
LogP2.94
Rot. Bonds4

About furan-3-ylmethyl 2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxylate

furan-3-ylmethyl 2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxylate (PubChem CID 97247375) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is furan-3-ylmethyl 2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namefuran-3-ylmethyl 2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxylate
PubChem CID97247375
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Namefuran-3-ylmethyl 2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxylate
SMILESO=C(OCc1ccoc1)c1cnc([C@H]2CCCO2)s1
InChIInChI=1S/C13H13NO4S/c15-13(18-8-9-3-5-16-7-9)11-6-14-12(19-11)10-2-1-4-17-10/h3,5-7,10H,1-2,4,8H2/t10-/m1/s1
InChIKeyMNCNVRNASMWZTQ-SNVBAGLBSA-N
XLogP2.94
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of furan-3-ylmethyl 2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of furan-3-ylmethyl 2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxylate (CID 97247375) is furan-3-ylmethyl 2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for furan-3-ylmethyl 2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for furan-3-ylmethyl 2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxylate is O=C(OCc1ccoc1)c1cnc([C@H]2CCCO2)s1.
What is the InChIKey of furan-3-ylmethyl 2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is MNCNVRNASMWZTQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13NO4S/c15-13(18-8-9-3-5-16-7-9)11-6-14-12(19-11)10-2-1-4-17-10/h3,5-7,10H,1-2,4,8H2/t10-/m1/s1.
What are the key properties of furan-3-ylmethyl 2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxylate?
furan-3-ylmethyl 2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 279.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-ylmethyl 2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 97247375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).