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

C9H10N2OS — CID 59858107

IUPAC2-(4-pyrrol-1-yl-1,3-thiazol-5-yl)ethanol
SMILESOCCc1scnc1-n1cccc1
InChIInChI=1S/C9H10N2OS/c12-6-3-8-9(10-7-13-8)11-4-1-2-5-11/h1-2,4-5,7,12H,3,6H2
InChIKeyQRVVDGIFMNOWIW-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.47
Rot. Bonds3

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

2-(4-pyrrol-1-yl-1,3-thiazol-5-yl)ethanol (PubChem CID 59858107) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-(4-pyrrol-1-yl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-pyrrol-1-yl-1,3-thiazol-5-yl)ethanol
PubChem CID59858107
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name2-(4-pyrrol-1-yl-1,3-thiazol-5-yl)ethanol
SMILESOCCc1scnc1-n1cccc1
InChIInChI=1S/C9H10N2OS/c12-6-3-8-9(10-7-13-8)11-4-1-2-5-11/h1-2,4-5,7,12H,3,6H2
InChIKeyQRVVDGIFMNOWIW-UHFFFAOYSA-N
XLogP1.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrol-1-yl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 2-(4-pyrrol-1-yl-1,3-thiazol-5-yl)ethanol (CID 59858107) is 2-(4-pyrrol-1-yl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-pyrrol-1-yl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(4-pyrrol-1-yl-1,3-thiazol-5-yl)ethanol is OCCc1scnc1-n1cccc1.
What is the InChIKey of 2-(4-pyrrol-1-yl-1,3-thiazol-5-yl)ethanol?
The InChIKey is QRVVDGIFMNOWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c12-6-3-8-9(10-7-13-8)11-4-1-2-5-11/h1-2,4-5,7,12H,3,6H2.
What are the key properties of 2-(4-pyrrol-1-yl-1,3-thiazol-5-yl)ethanol?
2-(4-pyrrol-1-yl-1,3-thiazol-5-yl)ethanol has a molecular weight of 194.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrol-1-yl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 59858107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).