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

C13H15NO3S — CID 116885480

IUPAC2-methyl-2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propanoic acid
SMILESCc1ccc(-c2nc(C)c(C(C)(C)C(=O)O)s2)o1
InChIInChI=1S/C13H15NO3S/c1-7-5-6-9(17-7)11-14-8(2)10(18-11)13(3,4)12(15)16/h5-6H,1-4H3,(H,15,16)
InChIKeyPHWKKYUQHZNZLY-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.38
Rot. Bonds3

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

2-methyl-2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propanoic acid (PubChem CID 116885480) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-methyl-2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propanoic acid
PubChem CID116885480
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name2-methyl-2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propanoic acid
SMILESCc1ccc(-c2nc(C)c(C(C)(C)C(=O)O)s2)o1
InChIInChI=1S/C13H15NO3S/c1-7-5-6-9(17-7)11-14-8(2)10(18-11)13(3,4)12(15)16/h5-6H,1-4H3,(H,15,16)
InChIKeyPHWKKYUQHZNZLY-UHFFFAOYSA-N
XLogP3.38
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 119249348
4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]butanoic acid
CID 116885461
2-(5-methylfuran-2-yl)-1,3-benzothiazole-5-carboxylic acid
CID 12060395
methyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate
CID 116886343
5-methoxy-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole
CID 116887586
2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanol
CID 116885384
4-methyl-N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503082
methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
CID 115422266
2-[2-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241601
[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol
CID 116887023
N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanamine
CID 116868204
N-(2-aminoethyl)-4-methyl-2-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 120885918

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propanoic acid (CID 116885480) is 2-methyl-2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propanoic acid is Cc1ccc(-c2nc(C)c(C(C)(C)C(=O)O)s2)o1.
What is the InChIKey of 2-methyl-2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is PHWKKYUQHZNZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-7-5-6-9(17-7)11-14-8(2)10(18-11)13(3,4)12(15)16/h5-6H,1-4H3,(H,15,16).
What are the key properties of 2-methyl-2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propanoic acid?
2-methyl-2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 265.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 116885480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).