2-(furan-2-ylmethylamino)-5-(furan-2-ylmethyliminomethyl)-1,3-thiazol-4-ol

C14H13N3O3S — CID 172913756

IUPAC2-(furan-2-ylmethylamino)-5-(furan-2-ylmethyliminomethyl)-1,3-thiazol-4-ol
SMILESOc1nc(NCc2ccco2)sc1/C=N/Cc1ccco1
InChIInChI=1S/C14H13N3O3S/c18-13-12(9-15-7-10-3-1-5-19-10)21-14(17-13)16-8-11-4-2-6-20-11/h1-6,9,18H,7-8H2,(H,16,17)/b15-9+
InChIKeyLXYWOUVIFAHEGV-OQLLNIDSSA-N
MW303.34 g/mol
LogP3.27
Rot. Bonds6

About 2-(furan-2-ylmethylamino)-5-(furan-2-ylmethyliminomethyl)-1,3-thiazol-4-ol

2-(furan-2-ylmethylamino)-5-(furan-2-ylmethyliminomethyl)-1,3-thiazol-4-ol (PubChem CID 172913756) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-5-(furan-2-ylmethyliminomethyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-5-(furan-2-ylmethyliminomethyl)-1,3-thiazol-4-ol
PubChem CID172913756
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name2-(furan-2-ylmethylamino)-5-(furan-2-ylmethyliminomethyl)-1,3-thiazol-4-ol
SMILESOc1nc(NCc2ccco2)sc1/C=N/Cc1ccco1
InChIInChI=1S/C14H13N3O3S/c18-13-12(9-15-7-10-3-1-5-19-10)21-14(17-13)16-8-11-4-2-6-20-11/h1-6,9,18H,7-8H2,(H,16,17)/b15-9+
InChIKeyLXYWOUVIFAHEGV-OQLLNIDSSA-N
XLogP3.27
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-5-(furan-2-ylmethyliminomethyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(furan-2-ylmethylamino)-5-(furan-2-ylmethyliminomethyl)-1,3-thiazol-4-ol (CID 172913756) is 2-(furan-2-ylmethylamino)-5-(furan-2-ylmethyliminomethyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-5-(furan-2-ylmethyliminomethyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(furan-2-ylmethylamino)-5-(furan-2-ylmethyliminomethyl)-1,3-thiazol-4-ol is Oc1nc(NCc2ccco2)sc1/C=N/Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-5-(furan-2-ylmethyliminomethyl)-1,3-thiazol-4-ol?
The InChIKey is LXYWOUVIFAHEGV-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H13N3O3S/c18-13-12(9-15-7-10-3-1-5-19-10)21-14(17-13)16-8-11-4-2-6-20-11/h1-6,9,18H,7-8H2,(H,16,17)/b15-9+.
What are the key properties of 2-(furan-2-ylmethylamino)-5-(furan-2-ylmethyliminomethyl)-1,3-thiazol-4-ol?
2-(furan-2-ylmethylamino)-5-(furan-2-ylmethyliminomethyl)-1,3-thiazol-4-ol has a molecular weight of 303.34 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-5-(furan-2-ylmethyliminomethyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 172913756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).