4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine

C15H11N5OS — CID 3301880

IUPAC4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(-n3nncc3-c3ccco3)cc2)cs1
InChIInChI=1S/C15H11N5OS/c16-15-18-12(9-22-15)10-3-5-11(6-4-10)20-13(8-17-19-20)14-2-1-7-21-14/h1-9H,(H2,16,18)
InChIKeyKOJQBMJLKZBPFG-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.23
Rot. Bonds3

About 4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine

4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine (PubChem CID 3301880) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine
PubChem CID3301880
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC Name4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(-n3nncc3-c3ccco3)cc2)cs1
InChIInChI=1S/C15H11N5OS/c16-15-18-12(9-22-15)10-3-5-11(6-4-10)20-13(8-17-19-20)14-2-1-7-21-14/h1-9H,(H2,16,18)
InChIKeyKOJQBMJLKZBPFG-UHFFFAOYSA-N
XLogP3.23
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine (CID 3301880) is 4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2ccc(-n3nncc3-c3ccco3)cc2)cs1.
What is the InChIKey of 4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine?
The InChIKey is KOJQBMJLKZBPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c16-15-18-12(9-22-15)10-3-5-11(6-4-10)20-13(8-17-19-20)14-2-1-7-21-14/h1-9H,(H2,16,18).
What are the key properties of 4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine?
4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine has a molecular weight of 309.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 3301880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).