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

C9H9ClN2OS2 — CID 107124815

IUPAC1-(5-chloro-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2ncc(Cl)s2)cs1
InChIInChI=1S/C9H9ClN2OS2/c1-5-12-6(4-14-5)2-7(13)9-11-3-8(10)15-9/h3-4,7,13H,2H2,1H3
InChIKeyXBVZBDKZERJUPY-UHFFFAOYSA-N
MW260.77 g/mol
LogP2.84
Rot. Bonds3

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

1-(5-chloro-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (PubChem CID 107124815) has the molecular formula C9H9ClN2OS2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
PubChem CID107124815
Molecular FormulaC9H9ClN2OS2
Molecular Weight260.77 g/mol
Exact Mass259.98
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2ncc(Cl)s2)cs1
InChIInChI=1S/C9H9ClN2OS2/c1-5-12-6(4-14-5)2-7(13)9-11-3-8(10)15-9/h3-4,7,13H,2H2,1H3
InChIKeyXBVZBDKZERJUPY-UHFFFAOYSA-N
XLogP2.84
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62799150
1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115812072
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62798973
1-(5-chloro-1,3-thiazol-2-yl)-2-quinolin-2-ylethanol
CID 107124923
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 115811976
1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115528070
1-(5-chloro-1,3-thiazol-2-yl)-5-methylhexan-1-ol
CID 107124871
1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 113328508
1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 106695570
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiophen-3-yl)ethanol
CID 102831271
1-(5-bromothiophen-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106635
2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propoxyphenyl)ethanol
CID 62799154

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (CID 107124815) is 1-(5-chloro-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is Cc1nc(CC(O)c2ncc(Cl)s2)cs1.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The InChIKey is XBVZBDKZERJUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2OS2/c1-5-12-6(4-14-5)2-7(13)9-11-3-8(10)15-9/h3-4,7,13H,2H2,1H3.
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
1-(5-chloro-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol has a molecular weight of 260.77 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 107124815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).