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

C12H14N2O3S — CID 62206727

IUPAC5-[(4-tert-butyl-1,3-thiazol-2-yl)amino]furan-2-carboxylic acid
SMILESCC(C)(C)c1csc(Nc2ccc(C(=O)O)o2)n1
InChIInChI=1S/C12H14N2O3S/c1-12(2,3)8-6-18-11(13-8)14-9-5-4-7(17-9)10(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)
InChIKeyUKWQBUXCWXTGLT-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.48
Rot. Bonds3

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

5-[(4-tert-butyl-1,3-thiazol-2-yl)amino]furan-2-carboxylic acid (PubChem CID 62206727) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-[(4-tert-butyl-1,3-thiazol-2-yl)amino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-tert-butyl-1,3-thiazol-2-yl)amino]furan-2-carboxylic acid
PubChem CID62206727
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name5-[(4-tert-butyl-1,3-thiazol-2-yl)amino]furan-2-carboxylic acid
SMILESCC(C)(C)c1csc(Nc2ccc(C(=O)O)o2)n1
InChIInChI=1S/C12H14N2O3S/c1-12(2,3)8-6-18-11(13-8)14-9-5-4-7(17-9)10(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)
InChIKeyUKWQBUXCWXTGLT-UHFFFAOYSA-N
XLogP3.48
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 90824816
5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 2380414
3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369370
2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-fluoropyridine-4-carboxylic acid
CID 105382066
2-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 41107614
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107025368
2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-5-chloropyridine-4-carboxylic acid
CID 114919380
(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 78973521
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 2861258
5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 60725123
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79023863

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butyl-1,3-thiazol-2-yl)amino]furan-2-carboxylic acid?
The IUPAC name of 5-[(4-tert-butyl-1,3-thiazol-2-yl)amino]furan-2-carboxylic acid (CID 62206727) is 5-[(4-tert-butyl-1,3-thiazol-2-yl)amino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(4-tert-butyl-1,3-thiazol-2-yl)amino]furan-2-carboxylic acid?
The canonical SMILES for 5-[(4-tert-butyl-1,3-thiazol-2-yl)amino]furan-2-carboxylic acid is CC(C)(C)c1csc(Nc2ccc(C(=O)O)o2)n1.
What is the InChIKey of 5-[(4-tert-butyl-1,3-thiazol-2-yl)amino]furan-2-carboxylic acid?
The InChIKey is UKWQBUXCWXTGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-12(2,3)8-6-18-11(13-8)14-9-5-4-7(17-9)10(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 5-[(4-tert-butyl-1,3-thiazol-2-yl)amino]furan-2-carboxylic acid?
5-[(4-tert-butyl-1,3-thiazol-2-yl)amino]furan-2-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butyl-1,3-thiazol-2-yl)amino]furan-2-carboxylic acid is sourced from PubChem (CID 62206727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).