2-[2-(furan-2-ylmethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid

C16H14N2O3S — CID 2573081

IUPAC2-[2-(furan-2-ylmethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(NCc2ccco2)nc1-c1ccccc1
InChIInChI=1S/C16H14N2O3S/c19-14(20)9-13-15(11-5-2-1-3-6-11)18-16(22-13)17-10-12-7-4-8-21-12/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChIKeyRTJZHRZDRSVKHX-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.64
Rot. Bonds6

About 2-[2-(furan-2-ylmethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid

2-[2-(furan-2-ylmethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 2573081) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-[2-(furan-2-ylmethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(furan-2-ylmethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid
PubChem CID2573081
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name2-[2-(furan-2-ylmethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(NCc2ccco2)nc1-c1ccccc1
InChIInChI=1S/C16H14N2O3S/c19-14(20)9-13-15(11-5-2-1-3-6-11)18-16(22-13)17-10-12-7-4-8-21-12/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChIKeyRTJZHRZDRSVKHX-UHFFFAOYSA-N
XLogP3.64
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-ylmethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(furan-2-ylmethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid (CID 2573081) is 2-[2-(furan-2-ylmethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(furan-2-ylmethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(furan-2-ylmethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(NCc2ccco2)nc1-c1ccccc1.
What is the InChIKey of 2-[2-(furan-2-ylmethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is RTJZHRZDRSVKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c19-14(20)9-13-15(11-5-2-1-3-6-11)18-16(22-13)17-10-12-7-4-8-21-12/h1-8H,9-10H2,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(furan-2-ylmethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(furan-2-ylmethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 314.37 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-ylmethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 2573081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).