1-(1-methylpyrrol-3-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol

C11H14N2OS — CID 67759052

IUPAC1-(1-methylpyrrol-3-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCc1ncsc1CC(O)c1ccn(C)c1
InChIInChI=1S/C11H14N2OS/c1-8-11(15-7-12-8)5-10(14)9-3-4-13(2)6-9/h3-4,6-7,10,14H,5H2,1-2H3
InChIKeyZQOUOUMUTYYROU-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.07
Rot. Bonds3

About 1-(1-methylpyrrol-3-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol

1-(1-methylpyrrol-3-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol (PubChem CID 67759052) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(1-methylpyrrol-3-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(1-methylpyrrol-3-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol
PubChem CID67759052
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-(1-methylpyrrol-3-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCc1ncsc1CC(O)c1ccn(C)c1
InChIInChI=1S/C11H14N2OS/c1-8-11(15-7-12-8)5-10(14)9-3-4-13(2)6-9/h3-4,6-7,10,14H,5H2,1-2H3
InChIKeyZQOUOUMUTYYROU-UHFFFAOYSA-N
XLogP2.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-3-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 1-(1-methylpyrrol-3-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol (CID 67759052) is 1-(1-methylpyrrol-3-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-(1-methylpyrrol-3-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 1-(1-methylpyrrol-3-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol is Cc1ncsc1CC(O)c1ccn(C)c1.
What is the InChIKey of 1-(1-methylpyrrol-3-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol?
The InChIKey is ZQOUOUMUTYYROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8-11(15-7-12-8)5-10(14)9-3-4-13(2)6-9/h3-4,6-7,10,14H,5H2,1-2H3.
What are the key properties of 1-(1-methylpyrrol-3-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol?
1-(1-methylpyrrol-3-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol has a molecular weight of 222.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-3-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 67759052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).