[5-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]furan-2-yl]methanol

C10H12N2O2S — CID 115912749

IUPAC[5-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]furan-2-yl]methanol
SMILESCc1cnc(NCc2ccc(CO)o2)s1
InChIInChI=1S/C10H12N2O2S/c1-7-4-11-10(15-7)12-5-8-2-3-9(6-13)14-8/h2-4,13H,5-6H2,1H3,(H,11,12)
InChIKeyAQXKYDTVVZLMLP-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.15
Rot. Bonds4

About [5-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]furan-2-yl]methanol

[5-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]furan-2-yl]methanol (PubChem CID 115912749) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is [5-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]furan-2-yl]methanol
PubChem CID115912749
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name[5-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]furan-2-yl]methanol
SMILESCc1cnc(NCc2ccc(CO)o2)s1
InChIInChI=1S/C10H12N2O2S/c1-7-4-11-10(15-7)12-5-8-2-3-9(6-13)14-8/h2-4,13H,5-6H2,1H3,(H,11,12)
InChIKeyAQXKYDTVVZLMLP-UHFFFAOYSA-N
XLogP2.15
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]furan-2-yl]methanol (CID 115912749) is [5-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]furan-2-yl]methanol is Cc1cnc(NCc2ccc(CO)o2)s1.
What is the InChIKey of [5-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]furan-2-yl]methanol?
The InChIKey is AQXKYDTVVZLMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-7-4-11-10(15-7)12-5-8-2-3-9(6-13)14-8/h2-4,13H,5-6H2,1H3,(H,11,12).
What are the key properties of [5-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]furan-2-yl]methanol?
[5-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]furan-2-yl]methanol has a molecular weight of 224.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 115912749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).