methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate

C9H7NO3S — CID 97034345

IUPACmethyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cscn2)o1
InChIInChI=1S/C9H7NO3S/c1-12-9(11)8-3-2-7(13-8)6-4-14-5-10-6/h2-5H,1H3
InChIKeyIQFRAMFYBNCWFJ-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.19
Rot. Bonds2

About methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate

methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate (PubChem CID 97034345) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate
PubChem CID97034345
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Namemethyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cscn2)o1
InChIInChI=1S/C9H7NO3S/c1-12-9(11)8-3-2-7(13-8)6-4-14-5-10-6/h2-5H,1H3
InChIKeyIQFRAMFYBNCWFJ-UHFFFAOYSA-N
XLogP2.19
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-{5-[(benzoyloxy)methyl]furan-2-YL}-1,3-thiazole-4-carboxylate
CID 335824
4-(2-Furyl)thiazole
CID 19865346
Ethyl 2-[5-(phenylmethoxymethyl)furan-2-yl]-1,3-thiazole-4-carboxylate
CID 146019199
2-(Diaminomethyleneamino)-4-(5-methoxycarbonylfuran-2-yl)thiazole
CID 11777662
4-(Furan-2-yl)-1,3-thiazole;oxamic acid
CID 19865345
5-(1,3-Thiazol-4-yl)furan-2-carboxamide
CID 53654207
Ethyl 4-(furan-2-yl)thiazole-2-carboxylate
CID 61385344
(E)-3-methoxyprop-2-enoic acid;2-(2-methylsulfanyl-1,3-thiazol-4-yl)-6H-1-benzofuran-7-one
CID 67834287
5-(2-Amino-thiazol-4-yl)-furan-2-carboxylic acid methyl ester
CID 86616435
4-(5-Methylfuran-2-yl)-1,3-thiazole
CID 130511808
4-(3-Diethylphosphorylfuran-2-yl)-1,3-thiazole
CID 141021971
[4-(Furan-2-yl)-1,3-thiazol-5-yl]-(5-methylfuran-2-yl)methanone
CID 141118012

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate?
The IUPAC name of methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate (CID 97034345) is methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate is COC(=O)c1ccc(-c2cscn2)o1.
What is the InChIKey of methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate?
The InChIKey is IQFRAMFYBNCWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c1-12-9(11)8-3-2-7(13-8)6-4-14-5-10-6/h2-5H,1H3.
What are the key properties of methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate?
methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate has a molecular weight of 209.23 g/mol, XLogP of 2.19, 2 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-4-yl)furan-2-carboxylate is sourced from PubChem (CID 97034345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).