1-(4-chloro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol

C14H13ClN2OS — CID 115828301

IUPAC1-(4-chloro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
SMILESCc1cc(C(O)Cc2cn3ccsc3n2)ccc1Cl
InChIInChI=1S/C14H13ClN2OS/c1-9-6-10(2-3-12(9)15)13(18)7-11-8-17-4-5-19-14(17)16-11/h2-6,8,13,18H,7H2,1H3
InChIKeyZUPPALSJXLDYNN-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.63
Rot. Bonds3

About 1-(4-chloro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol

1-(4-chloro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol (PubChem CID 115828301) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
PubChem CID115828301
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name1-(4-chloro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
SMILESCc1cc(C(O)Cc2cn3ccsc3n2)ccc1Cl
InChIInChI=1S/C14H13ClN2OS/c1-9-6-10(2-3-12(9)15)13(18)7-11-8-17-4-5-19-14(17)16-11/h2-6,8,13,18H,7H2,1H3
InChIKeyZUPPALSJXLDYNN-UHFFFAOYSA-N
XLogP3.63
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332851
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanol
CID 115828185
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-iodophenyl)ethanol
CID 115828163
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methylphenyl)ethanol
CID 115332824
1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 105023768
1-(furan-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332847
1-(3-chloro-4-methylphenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023712
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-iodothiophen-3-yl)ethanol
CID 115828284
1-(2,5-dimethylthiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332858
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104769476
1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115828306
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methoxy-4-methylphenyl)ethanol
CID 106791040

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol (CID 115828301) is 1-(4-chloro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol is Cc1cc(C(O)Cc2cn3ccsc3n2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
The InChIKey is ZUPPALSJXLDYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-9-6-10(2-3-12(9)15)13(18)7-11-8-17-4-5-19-14(17)16-11/h2-6,8,13,18H,7H2,1H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
1-(4-chloro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol has a molecular weight of 292.79 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol is sourced from PubChem (CID 115828301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).