methyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate

C12H13NO3S — CID 116886343

IUPACmethyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate
SMILESCOC(=O)Cc1sc(-c2ccc(C)o2)nc1C
InChIInChI=1S/C12H13NO3S/c1-7-4-5-9(16-7)12-13-8(2)10(17-12)6-11(14)15-3/h4-5H,6H2,1-3H3
InChIKeyCNFDTFPXYRDXLQ-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.74
Rot. Bonds3

About methyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate

methyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate (PubChem CID 116886343) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is methyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate
PubChem CID116886343
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Namemethyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate
SMILESCOC(=O)Cc1sc(-c2ccc(C)o2)nc1C
InChIInChI=1S/C12H13NO3S/c1-7-4-5-9(16-7)12-13-8(2)10(17-12)6-11(14)15-3/h4-5H,6H2,1-3H3
InChIKeyCNFDTFPXYRDXLQ-UHFFFAOYSA-N
XLogP2.74
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanamine
CID 116868204
2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanol
CID 116885384
4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]butanoic acid
CID 116885461
methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
CID 115422266
4-methyl-N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503082
1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884656
5-methoxy-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole
CID 116887586
2-methyl-2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propanoic acid
CID 116885480
N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38592392
2,2-dimethyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 119249348
N-(3-aminopropyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 119407804
4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886558

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate?
The IUPAC name of methyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate (CID 116886343) is methyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for methyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate?
The canonical SMILES for methyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate is COC(=O)Cc1sc(-c2ccc(C)o2)nc1C.
What is the InChIKey of methyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate?
The InChIKey is CNFDTFPXYRDXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-7-4-5-9(16-7)12-13-8(2)10(17-12)6-11(14)15-3/h4-5H,6H2,1-3H3.
What are the key properties of methyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate?
methyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate has a molecular weight of 251.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 116886343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).