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

C10H12N2OS — CID 116867629

IUPAC1-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol
SMILESCc1sc(C(C)O)nc1-c1ccc[nH]1
InChIInChI=1S/C10H12N2OS/c1-6(13)10-12-9(7(2)14-10)8-4-3-5-11-8/h3-6,11,13H,1-2H3
InChIKeyUSZRMQCEDLLIIS-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.50
Rot. Bonds2

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

1-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol (PubChem CID 116867629) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol
PubChem CID116867629
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name1-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol
SMILESCc1sc(C(C)O)nc1-c1ccc[nH]1
InChIInChI=1S/C10H12N2OS/c1-6(13)10-12-9(7(2)14-10)8-4-3-5-11-8/h3-6,11,13H,1-2H3
InChIKeyUSZRMQCEDLLIIS-UHFFFAOYSA-N
XLogP2.50
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol
CID 116867812
1-[4-(2,5-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 116867625
5,6-dimethyl-3-(1H-pyrrol-2-yl)pyrazin-2-amine
CID 103341831
5-methyl-2-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole
CID 116829024
1-[5-(4-methylphenyl)-4-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]ethanol
CID 142057375
4,5-dimethyl-6-(1H-pyrrol-2-yl)pyridazin-3-amine
CID 103341793
4-chloro-2,5-dimethyl-6-(1H-pyrrol-2-yl)pyrimidine
CID 103341746
2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine
CID 170388279
2-amino-2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanol
CID 136988683
1-(5-methyl-4-propyl-1,3-thiazol-2-yl)ethanol
CID 116867604
1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 116867715
1-[5-methyl-4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanol
CID 116867651

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 1-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol (CID 116867629) is 1-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 1-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol is Cc1sc(C(C)O)nc1-c1ccc[nH]1.
What is the InChIKey of 1-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is USZRMQCEDLLIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-6(13)10-12-9(7(2)14-10)8-4-3-5-11-8/h3-6,11,13H,1-2H3.
What are the key properties of 1-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol?
1-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 208.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 116867629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).