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

C11H9NO5S2 — CID 62033663

IUPAC5-[[4-(carboxymethyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid
SMILESO=C(O)Cc1csc(SCc2ccc(C(=O)O)o2)n1
InChIInChI=1S/C11H9NO5S2/c13-9(14)3-6-4-18-11(12-6)19-5-7-1-2-8(17-7)10(15)16/h1-2,4H,3,5H2,(H,13,14)(H,15,16)
InChIKeyRLFZUVPROUMIQR-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.35
Rot. Bonds6

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

5-[[4-(carboxymethyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid (PubChem CID 62033663) has the molecular formula C11H9NO5S2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-[[4-(carboxymethyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(carboxymethyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid
PubChem CID62033663
Molecular FormulaC11H9NO5S2
Molecular Weight299.33 g/mol
Exact Mass298.99
IUPAC Name5-[[4-(carboxymethyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid
SMILESO=C(O)Cc1csc(SCc2ccc(C(=O)O)o2)n1
InChIInChI=1S/C11H9NO5S2/c13-9(14)3-6-4-18-11(12-6)19-5-7-1-2-8(17-7)10(15)16/h1-2,4H,3,5H2,(H,13,14)(H,15,16)
InChIKeyRLFZUVPROUMIQR-UHFFFAOYSA-N
XLogP2.35
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(5-methoxycarbonylfuran-2-yl)methylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 60708766
2-[2-(furan-3-ylmethylsulfanyl)-1,3-thiazol-4-yl]acetic acid
CID 83171581
2-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 60708925
2-[2-[(6-chloro-2-pyridinyl)methylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 79240903
2-[2-[(5-bromo-2-pyridinyl)methylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 104796019
2-[2-(3-chloro-2-methylprop-2-enyl)sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 106436708
2-[2-[(3-methoxycarbonylfuran-2-yl)methylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 60713045
2-[2-[(2-chloro-4-cyanophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 102663412
2-[2-(2-ethyl-2-hydroxybutyl)sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 114491433
2-[2-[2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 67169927
2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 60708887
5-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid
CID 43250452

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(carboxymethyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[4-(carboxymethyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid (CID 62033663) is 5-[[4-(carboxymethyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[4-(carboxymethyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[4-(carboxymethyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid is O=C(O)Cc1csc(SCc2ccc(C(=O)O)o2)n1.
What is the InChIKey of 5-[[4-(carboxymethyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid?
The InChIKey is RLFZUVPROUMIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO5S2/c13-9(14)3-6-4-18-11(12-6)19-5-7-1-2-8(17-7)10(15)16/h1-2,4H,3,5H2,(H,13,14)(H,15,16).
What are the key properties of 5-[[4-(carboxymethyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid?
5-[[4-(carboxymethyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(carboxymethyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid is sourced from PubChem (CID 62033663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).