methyl 5-(1,3-thiazol-2-ylmethyl)furan-2-carboxylate

C10H9NO3S — CID 10680599

IUPACmethyl 5-(1,3-thiazol-2-ylmethyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cc2nccs2)o1
InChIInChI=1S/C10H9NO3S/c1-13-10(12)8-3-2-7(14-8)6-9-11-4-5-15-9/h2-5H,6H2,1H3
InChIKeyZXJYGORXKMRVNQ-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.11
Rot. Bonds3

About methyl 5-(1,3-thiazol-2-ylmethyl)furan-2-carboxylate

methyl 5-(1,3-thiazol-2-ylmethyl)furan-2-carboxylate (PubChem CID 10680599) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is methyl 5-(1,3-thiazol-2-ylmethyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1,3-thiazol-2-ylmethyl)furan-2-carboxylate
PubChem CID10680599
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Namemethyl 5-(1,3-thiazol-2-ylmethyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cc2nccs2)o1
InChIInChI=1S/C10H9NO3S/c1-13-10(12)8-3-2-7(14-8)6-9-11-4-5-15-9/h2-5H,6H2,1H3
InChIKeyZXJYGORXKMRVNQ-UHFFFAOYSA-N
XLogP2.11
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine
CID 106887614
methyl 5-[[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]methyl]furan-2-carboxylate
CID 71983376
methyl 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-2-carboxylate
CID 104588713
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 5-(ethoxymethyl)furan-2-carboxylate
CID 4193919
methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate
CID 115279422
methyl 5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-2-carboxylate
CID 103923082
methyl 3-nitro-5-(1,3-thiazol-2-ylmethyl)benzoate
CID 113326121
methyl 5-[(butan-2-ylamino)methyl]furan-2-carboxylate chloride
CID 53314358
methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
CID 60810799
methyl 5-[(pyridin-2-ylmethylamino)methyl]furan-2-carboxylate
CID 43219093
2-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 57476546

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1,3-thiazol-2-ylmethyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(1,3-thiazol-2-ylmethyl)furan-2-carboxylate (CID 10680599) is methyl 5-(1,3-thiazol-2-ylmethyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(1,3-thiazol-2-ylmethyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(1,3-thiazol-2-ylmethyl)furan-2-carboxylate is COC(=O)c1ccc(Cc2nccs2)o1.
What is the InChIKey of methyl 5-(1,3-thiazol-2-ylmethyl)furan-2-carboxylate?
The InChIKey is ZXJYGORXKMRVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-13-10(12)8-3-2-7(14-8)6-9-11-4-5-15-9/h2-5H,6H2,1H3.
What are the key properties of methyl 5-(1,3-thiazol-2-ylmethyl)furan-2-carboxylate?
methyl 5-(1,3-thiazol-2-ylmethyl)furan-2-carboxylate has a molecular weight of 223.25 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1,3-thiazol-2-ylmethyl)furan-2-carboxylate is sourced from PubChem (CID 10680599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).