1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol

C13H18N2O3S — CID 54914081

IUPAC1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
SMILESCc1csc(CNCC(O)COCc2ccco2)n1
InChIInChI=1S/C13H18N2O3S/c1-10-9-19-13(15-10)6-14-5-11(16)7-17-8-12-3-2-4-18-12/h2-4,9,11,14,16H,5-8H2,1H3
InChIKeyLWSQQYWZNSPNHO-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.71
Rot. Bonds8

About 1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol

1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol (PubChem CID 54914081) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
PubChem CID54914081
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
SMILESCc1csc(CNCC(O)COCc2ccco2)n1
InChIInChI=1S/C13H18N2O3S/c1-10-9-19-13(15-10)6-14-5-11(16)7-17-8-12-3-2-4-18-12/h2-4,9,11,14,16H,5-8H2,1H3
InChIKeyLWSQQYWZNSPNHO-UHFFFAOYSA-N
XLogP1.71
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62848280
1-(furan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol
CID 61044455
4-[[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380938
1-(furan-2-ylmethoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
CID 114186259
1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
CID 60633241
1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60635601
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61042993
1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol
CID 60649357
1-(furan-2-ylmethoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol
CID 60633593
1-(furan-2-ylmethoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349089
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 61044334

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol (CID 54914081) is 1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol is Cc1csc(CNCC(O)COCc2ccco2)n1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The InChIKey is LWSQQYWZNSPNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-10-9-19-13(15-10)6-14-5-11(16)7-17-8-12-3-2-4-18-12/h2-4,9,11,14,16H,5-8H2,1H3.
What are the key properties of 1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol has a molecular weight of 282.36 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 54914081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).