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

C10H9NO3S — CID 53271156

IUPACmethyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1-c1ccco1
InChIInChI=1S/C10H9NO3S/c1-6-11-8(10(12)13-2)9(15-6)7-4-3-5-14-7/h3-5H,1-2H3
InChIKeyROXMKMBZAGGLBQ-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.50
Rot. Bonds2

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

methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 53271156) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
PubChem CID53271156
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Namemethyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1-c1ccco1
InChIInChI=1S/C10H9NO3S/c1-6-11-8(10(12)13-2)9(15-6)7-4-3-5-14-7/h3-5H,1-2H3
InChIKeyROXMKMBZAGGLBQ-UHFFFAOYSA-N
XLogP2.50
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(furan-2-yl)-1,3-thiazole-4-carboxylate
CID 53271132
methyl 5-(1-benzofuran-3-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 106510668
methyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 106510688
methyl 5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271288
methyl 5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 67018202
dimethyl 4-(furan-2-yl)-1,2-oxazole-3,5-dicarboxylate
CID 121005993
methyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate
CID 61313379
5-(furan-2-yl)-4-methyl-1,3-thiazole-2-carboxylic acid
CID 82126671
2-(furan-2-yl)-N-(2-methoxyethoxy)-5-methyl-1,3-thiazole-4-carboxamide
CID 79676397
methyl 1-(furan-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 14284076
methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate
CID 4275287
methanesulfonyl chloride;methyl 5-[3-(methanesulfonamido)phenyl]-2-methyl-1,3-thiazole-4-carboxylate
CID 162157166

Frequently Asked Questions

What is the IUPAC name of methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate (CID 53271156) is methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C)sc1-c1ccco1.
What is the InChIKey of methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is ROXMKMBZAGGLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-6-11-8(10(12)13-2)9(15-6)7-4-3-5-14-7/h3-5H,1-2H3.
What are the key properties of methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate?
methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 223.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 53271156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).