[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol

C10H11NO2S — CID 62923776

IUPAC[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol
SMILESCc1cc(-c2csc(CO)n2)c(C)o1
InChIInChI=1S/C10H11NO2S/c1-6-3-8(7(2)13-6)9-5-14-10(4-12)11-9/h3,5,12H,4H2,1-2H3
InChIKeyBSQRQPAFWCHTRY-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.51
Rot. Bonds2

About [4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol

[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol (PubChem CID 62923776) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is [4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol
PubChem CID62923776
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol
SMILESCc1cc(-c2csc(CO)n2)c(C)o1
InChIInChI=1S/C10H11NO2S/c1-6-3-8(7(2)13-6)9-5-14-10(4-12)11-9/h3,5,12H,4H2,1-2H3
InChIKeyBSQRQPAFWCHTRY-UHFFFAOYSA-N
XLogP2.51
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol (CID 62923776) is [4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol is Cc1cc(-c2csc(CO)n2)c(C)o1.
What is the InChIKey of [4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol?
The InChIKey is BSQRQPAFWCHTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-6-3-8(7(2)13-6)9-5-14-10(4-12)11-9/h3,5,12H,4H2,1-2H3.
What are the key properties of [4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol?
[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol has a molecular weight of 209.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 62923776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).