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

C13H10N2O3S2 — CID 63356111

IUPAC5-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESCc1nc(Cc2nc(-c3cc(C(=O)O)co3)cs2)cs1
InChIInChI=1S/C13H10N2O3S2/c1-7-14-9(5-19-7)3-12-15-10(6-20-12)11-2-8(4-18-11)13(16)17/h2,4-6H,3H2,1H3,(H,16,17)
InChIKeyFIXSOIUXCKBGRU-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.46
Rot. Bonds4

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

5-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid (PubChem CID 63356111) has the molecular formula C13H10N2O3S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid
PubChem CID63356111
Molecular FormulaC13H10N2O3S2
Molecular Weight306.37 g/mol
Exact Mass306.01
IUPAC Name5-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESCc1nc(Cc2nc(-c3cc(C(=O)O)co3)cs2)cs1
InChIInChI=1S/C13H10N2O3S2/c1-7-14-9(5-19-7)3-12-15-10(6-20-12)11-2-8(4-18-11)13(16)17/h2,4-6H,3H2,1H3,(H,16,17)
InChIKeyFIXSOIUXCKBGRU-UHFFFAOYSA-N
XLogP3.46
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid with MolForge

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Related Compounds

3-methyl-5-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]-1,2-oxazole
CID 122146639
5-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63356069
5-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63356028
5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63356063
5-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63355768
5-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 107931341
5-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 103083503
5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 106817927
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carbaldehyde
CID 62800362
(2S)-3-[cyclopropyl-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]amino]-2-methylpropanoic acid
CID 99851791
N-(3-hydroxybutyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide
CID 111433798
6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxylic acid
CID 62799012

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The IUPAC name of 5-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid (CID 63356111) is 5-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The canonical SMILES for 5-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid is Cc1nc(Cc2nc(-c3cc(C(=O)O)co3)cs2)cs1.
What is the InChIKey of 5-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The InChIKey is FIXSOIUXCKBGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S2/c1-7-14-9(5-19-7)3-12-15-10(6-20-12)11-2-8(4-18-11)13(16)17/h2,4-6H,3H2,1H3,(H,16,17).
What are the key properties of 5-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid?
5-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid is sourced from PubChem (CID 63356111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).