(2-phenyl-1,3-thiazol-5-yl)methyl 5-(methoxymethyl)furan-2-carboxylate

C17H15NO4S — CID 78827542

IUPAC(2-phenyl-1,3-thiazol-5-yl)methyl 5-(methoxymethyl)furan-2-carboxylate
SMILESCOCc1ccc(C(=O)OCc2cnc(-c3ccccc3)s2)o1
InChIInChI=1S/C17H15NO4S/c1-20-10-13-7-8-15(22-13)17(19)21-11-14-9-18-16(23-14)12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKeyYNLUOFNENUOXJT-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.91
Rot. Bonds6

About (2-phenyl-1,3-thiazol-5-yl)methyl 5-(methoxymethyl)furan-2-carboxylate

(2-phenyl-1,3-thiazol-5-yl)methyl 5-(methoxymethyl)furan-2-carboxylate (PubChem CID 78827542) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-5-yl)methyl 5-(methoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-5-yl)methyl 5-(methoxymethyl)furan-2-carboxylate
PubChem CID78827542
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name(2-phenyl-1,3-thiazol-5-yl)methyl 5-(methoxymethyl)furan-2-carboxylate
SMILESCOCc1ccc(C(=O)OCc2cnc(-c3ccccc3)s2)o1
InChIInChI=1S/C17H15NO4S/c1-20-10-13-7-8-15(22-13)17(19)21-11-14-9-18-16(23-14)12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKeyYNLUOFNENUOXJT-UHFFFAOYSA-N
XLogP3.91
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-phenyl-1,3-thiazol-5-yl)methyl 3-acetamidobenzoate
CID 78760953
(2-methoxyphenyl)methyl 5-(methoxymethyl)furan-2-carboxylate
CID 78824904
(2-phenyl-1,3-thiazol-5-yl)methyl 4-(carbamoylamino)benzoate
CID 78765064
(2-phenyl-1,3-thiazol-5-yl)methyl 5-fluoropyridine-3-carboxylate
CID 154750246
(2-phenyl-1,3-thiazol-5-yl)methyl 3-acetamido-4-methylbenzoate
CID 86826393
(2-phenyl-1,3-thiazol-5-yl)methyl 3-(methanesulfonamido)benzoate
CID 2547440
(2-phenyl-1,3-thiazol-5-yl)methyl (2R,3R)-2-methyloxolane-3-carboxylate
CID 97157485
(2-phenyl-1,3-thiazol-5-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4787088
5-(methoxymethyl)-N-phenylmethoxyfuran-2-carboxamide
CID 78827585
(2-phenyl-1,3-thiazol-5-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78760384
(4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate
CID 78824404
ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate
CID 10017085

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-5-yl)methyl 5-(methoxymethyl)furan-2-carboxylate?
The IUPAC name of (2-phenyl-1,3-thiazol-5-yl)methyl 5-(methoxymethyl)furan-2-carboxylate (CID 78827542) is (2-phenyl-1,3-thiazol-5-yl)methyl 5-(methoxymethyl)furan-2-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-5-yl)methyl 5-(methoxymethyl)furan-2-carboxylate?
The canonical SMILES for (2-phenyl-1,3-thiazol-5-yl)methyl 5-(methoxymethyl)furan-2-carboxylate is COCc1ccc(C(=O)OCc2cnc(-c3ccccc3)s2)o1.
What is the InChIKey of (2-phenyl-1,3-thiazol-5-yl)methyl 5-(methoxymethyl)furan-2-carboxylate?
The InChIKey is YNLUOFNENUOXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-20-10-13-7-8-15(22-13)17(19)21-11-14-9-18-16(23-14)12-5-3-2-4-6-12/h2-9H,10-11H2,1H3.
What are the key properties of (2-phenyl-1,3-thiazol-5-yl)methyl 5-(methoxymethyl)furan-2-carboxylate?
(2-phenyl-1,3-thiazol-5-yl)methyl 5-(methoxymethyl)furan-2-carboxylate has a molecular weight of 329.38 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-5-yl)methyl 5-(methoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 78827542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).