2-(2,5-dimethylfuran-3-yl)-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]propan-2-ol

C17H20N2O2S2 — CID 111974733

IUPAC2-(2,5-dimethylfuran-3-yl)-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]propan-2-ol
SMILESCc1cc(C(C)(O)CNCc2cnc(-c3ccsc3)s2)c(C)o1
InChIInChI=1S/C17H20N2O2S2/c1-11-6-15(12(2)21-11)17(3,20)10-18-7-14-8-19-16(23-14)13-4-5-22-9-13/h4-6,8-9,18,20H,7,10H2,1-3H3
InChIKeyCSJGBZUUZWJNOZ-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.08
Rot. Bonds6

About 2-(2,5-dimethylfuran-3-yl)-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]propan-2-ol

2-(2,5-dimethylfuran-3-yl)-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]propan-2-ol (PubChem CID 111974733) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-(2,5-dimethylfuran-3-yl)-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-(2,5-dimethylfuran-3-yl)-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]propan-2-ol
PubChem CID111974733
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC Name2-(2,5-dimethylfuran-3-yl)-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]propan-2-ol
SMILESCc1cc(C(C)(O)CNCc2cnc(-c3ccsc3)s2)c(C)o1
InChIInChI=1S/C17H20N2O2S2/c1-11-6-15(12(2)21-11)17(3,20)10-18-7-14-8-19-16(23-14)13-4-5-22-9-13/h4-6,8-9,18,20H,7,10H2,1-3H3
InChIKeyCSJGBZUUZWJNOZ-UHFFFAOYSA-N
XLogP4.08
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylfuran-3-yl)-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]propan-2-ol?
The IUPAC name of 2-(2,5-dimethylfuran-3-yl)-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]propan-2-ol (CID 111974733) is 2-(2,5-dimethylfuran-3-yl)-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]propan-2-ol.
What is the SMILES notation for 2-(2,5-dimethylfuran-3-yl)-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]propan-2-ol?
The canonical SMILES for 2-(2,5-dimethylfuran-3-yl)-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]propan-2-ol is Cc1cc(C(C)(O)CNCc2cnc(-c3ccsc3)s2)c(C)o1.
What is the InChIKey of 2-(2,5-dimethylfuran-3-yl)-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]propan-2-ol?
The InChIKey is CSJGBZUUZWJNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c1-11-6-15(12(2)21-11)17(3,20)10-18-7-14-8-19-16(23-14)13-4-5-22-9-13/h4-6,8-9,18,20H,7,10H2,1-3H3.
What are the key properties of 2-(2,5-dimethylfuran-3-yl)-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]propan-2-ol?
2-(2,5-dimethylfuran-3-yl)-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]propan-2-ol has a molecular weight of 348.49 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylfuran-3-yl)-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]propan-2-ol is sourced from PubChem (CID 111974733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).