5-[2-[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropyl]furan-2-carboxylic acid

C15H17NO5S — CID 82155440

IUPAC5-[2-[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropyl]furan-2-carboxylic acid
SMILESCc1nc(C(C)(C)Cc2ccc(C(=O)O)o2)sc1CC(=O)O
InChIInChI=1S/C15H17NO5S/c1-8-11(6-12(17)18)22-14(16-8)15(2,3)7-9-4-5-10(21-9)13(19)20/h4-5H,6-7H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyOKHOIUIILUKPQD-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.89
Rot. Bonds6

About 5-[2-[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropyl]furan-2-carboxylic acid

5-[2-[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropyl]furan-2-carboxylic acid (PubChem CID 82155440) has the molecular formula C15H17NO5S and a molecular weight of 323.37 g/mol. Its IUPAC name is 5-[2-[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropyl]furan-2-carboxylic acid
PubChem CID82155440
Molecular FormulaC15H17NO5S
Molecular Weight323.37 g/mol
Exact Mass323.08
IUPAC Name5-[2-[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropyl]furan-2-carboxylic acid
SMILESCc1nc(C(C)(C)Cc2ccc(C(=O)O)o2)sc1CC(=O)O
InChIInChI=1S/C15H17NO5S/c1-8-11(6-12(17)18)22-14(16-8)15(2,3)7-9-4-5-10(21-9)13(19)20/h4-5H,6-7H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyOKHOIUIILUKPQD-UHFFFAOYSA-N
XLogP2.89
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methyl-2-(2-methylbutan-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 82155435
3-[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]-2,2,3-trimethylbutanoic acid
CID 82155441
2-[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]acetic acid
CID 64662696
2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 84761863
5-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid
CID 43250452
2-[2-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64662495
2-[4-methyl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82094233
2-[2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 81492328
5-[[4-(carboxymethyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid
CID 62033663
2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 93206259
2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058750
2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 65195789

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropyl]furan-2-carboxylic acid (CID 82155440) is 5-[2-[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropyl]furan-2-carboxylic acid is Cc1nc(C(C)(C)Cc2ccc(C(=O)O)o2)sc1CC(=O)O.
What is the InChIKey of 5-[2-[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropyl]furan-2-carboxylic acid?
The InChIKey is OKHOIUIILUKPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S/c1-8-11(6-12(17)18)22-14(16-8)15(2,3)7-9-4-5-10(21-9)13(19)20/h4-5H,6-7H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 5-[2-[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropyl]furan-2-carboxylic acid?
5-[2-[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropyl]furan-2-carboxylic acid has a molecular weight of 323.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropyl]furan-2-carboxylic acid is sourced from PubChem (CID 82155440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).