4-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenol

C14H12N2O2S — CID 646727

IUPAC4-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenol
SMILESOc1ccc(-c2csc(NCc3ccco3)n2)cc1
InChIInChI=1S/C14H12N2O2S/c17-11-5-3-10(4-6-11)13-9-19-14(16-13)15-8-12-2-1-7-18-12/h1-7,9,17H,8H2,(H,15,16)
InChIKeyGQFSIHBLKPAWTG-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.72
Rot. Bonds4

About 4-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenol

4-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenol (PubChem CID 646727) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name4-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenol
PubChem CID646727
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name4-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenol
SMILESOc1ccc(-c2csc(NCc3ccco3)n2)cc1
InChIInChI=1S/C14H12N2O2S/c17-11-5-3-10(4-6-11)13-9-19-14(16-13)15-8-12-2-1-7-18-12/h1-7,9,17H,8H2,(H,15,16)
InChIKeyGQFSIHBLKPAWTG-UHFFFAOYSA-N
XLogP3.72
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 4-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenol (CID 646727) is 4-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 4-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 4-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenol is Oc1ccc(-c2csc(NCc3ccco3)n2)cc1.
What is the InChIKey of 4-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenol?
The InChIKey is GQFSIHBLKPAWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c17-11-5-3-10(4-6-11)13-9-19-14(16-13)15-8-12-2-1-7-18-12/h1-7,9,17H,8H2,(H,15,16).
What are the key properties of 4-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenol?
4-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenol has a molecular weight of 272.33 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 646727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).