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

C10H10N2O3S2 — CID 43250452

IUPAC5-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid
SMILESCc1nc(N)sc1SCc1ccc(C(=O)O)o1
InChIInChI=1S/C10H10N2O3S2/c1-5-9(17-10(11)12-5)16-4-6-2-3-7(15-6)8(13)14/h2-3H,4H2,1H3,(H2,11,12)(H,13,14)
InChIKeyHKOZBVHVRKWPSE-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.62
Rot. Bonds4

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

5-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid (PubChem CID 43250452) has the molecular formula C10H10N2O3S2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid
PubChem CID43250452
Molecular FormulaC10H10N2O3S2
Molecular Weight270.33 g/mol
Exact Mass270.01
IUPAC Name5-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid
SMILESCc1nc(N)sc1SCc1ccc(C(=O)O)o1
InChIInChI=1S/C10H10N2O3S2/c1-5-9(17-10(11)12-5)16-4-6-2-3-7(15-6)8(13)14/h2-3H,4H2,1H3,(H2,11,12)(H,13,14)
InChIKeyHKOZBVHVRKWPSE-UHFFFAOYSA-N
XLogP2.62
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid (CID 43250452) is 5-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid is Cc1nc(N)sc1SCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid?
The InChIKey is HKOZBVHVRKWPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S2/c1-5-9(17-10(11)12-5)16-4-6-2-3-7(15-6)8(13)14/h2-3H,4H2,1H3,(H2,11,12)(H,13,14).
What are the key properties of 5-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid?
5-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid is sourced from PubChem (CID 43250452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).