2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid

C15H16N2O4S — CID 119195381

IUPAC2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
SMILESCc1ccc(-c2nc(CC(=O)N(CC(=O)O)C3CC3)cs2)o1
InChIInChI=1S/C15H16N2O4S/c1-9-2-5-12(21-9)15-16-10(8-22-15)6-13(18)17(7-14(19)20)11-3-4-11/h2,5,8,11H,3-4,6-7H2,1H3,(H,19,20)
InChIKeyKZUXWUUZDLUQTA-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.33
Rot. Bonds6

About 2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid

2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid (PubChem CID 119195381) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
PubChem CID119195381
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
SMILESCc1ccc(-c2nc(CC(=O)N(CC(=O)O)C3CC3)cs2)o1
InChIInChI=1S/C15H16N2O4S/c1-9-2-5-12(21-9)15-16-10(8-22-15)6-13(18)17(7-14(19)20)11-3-4-11/h2,5,8,11H,3-4,6-7H2,1H3,(H,19,20)
InChIKeyKZUXWUUZDLUQTA-UHFFFAOYSA-N
XLogP2.33
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid (CID 119195381) is 2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid is Cc1ccc(-c2nc(CC(=O)N(CC(=O)O)C3CC3)cs2)o1.
What is the InChIKey of 2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The InChIKey is KZUXWUUZDLUQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-9-2-5-12(21-9)15-16-10(8-22-15)6-13(18)17(7-14(19)20)11-3-4-11/h2,5,8,11H,3-4,6-7H2,1H3,(H,19,20).
What are the key properties of 2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid has a molecular weight of 320.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 119195381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).