2-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol

C10H12N2OS — CID 116867812

IUPAC2-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol
SMILESCc1sc(CCO)nc1-c1ccc[nH]1
InChIInChI=1S/C10H12N2OS/c1-7-10(8-3-2-5-11-8)12-9(14-7)4-6-13/h2-3,5,11,13H,4,6H2,1H3
InChIKeyZEGQLADQDIVILE-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.98
Rot. Bonds3

About 2-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol

2-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol (PubChem CID 116867812) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol
PubChem CID116867812
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol
SMILESCc1sc(CCO)nc1-c1ccc[nH]1
InChIInChI=1S/C10H12N2OS/c1-7-10(8-3-2-5-11-8)12-9(14-7)4-6-13/h2-3,5,11,13H,4,6H2,1H3
InChIKeyZEGQLADQDIVILE-UHFFFAOYSA-N
XLogP1.98
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 2-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol (CID 116867812) is 2-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 2-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol is Cc1sc(CCO)nc1-c1ccc[nH]1.
What is the InChIKey of 2-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is ZEGQLADQDIVILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-7-10(8-3-2-5-11-8)12-9(14-7)4-6-13/h2-3,5,11,13H,4,6H2,1H3.
What are the key properties of 2-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol?
2-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 208.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 116867812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).