1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol

C16H18N2OS — CID 115828306

IUPAC1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
SMILESCc1ccc(C)c(CC(O)Cc2cn3ccsc3n2)c1
InChIInChI=1S/C16H18N2OS/c1-11-3-4-12(2)13(7-11)8-15(19)9-14-10-18-5-6-20-16(18)17-14/h3-7,10,15,19H,8-9H2,1-2H3
InChIKeyLVNXWZUGQNFXNH-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.16
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol

1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol (PubChem CID 115828306) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
PubChem CID115828306
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
SMILESCc1ccc(C)c(CC(O)Cc2cn3ccsc3n2)c1
InChIInChI=1S/C16H18N2OS/c1-11-3-4-12(2)13(7-11)8-15(19)9-14-10-18-5-6-20-16(18)17-14/h3-7,10,15,19H,8-9H2,1-2H3
InChIKeyLVNXWZUGQNFXNH-UHFFFAOYSA-N
XLogP3.16
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol
CID 115333257
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-(2-methoxy-4-methylphenyl)ethanol
CID 106791040
1-(dimethylamino)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115333340
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanylpropan-2-ol
CID 115333283
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methylphenyl)ethanol
CID 115332824
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonylpropan-2-ol
CID 115828305
1-(4-chloro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115828301
6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335208
1-imidazo[2,1-b][1,3]thiazol-6-yl-5-methoxyhexan-2-ol
CID 105120395
3-imidazo[2,1-b][1,3]thiazol-6-yl-2-(2-methylphenyl)propanoic acid
CID 115332537
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 105023464

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol (CID 115828306) is 1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol is Cc1ccc(C)c(CC(O)Cc2cn3ccsc3n2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol?
The InChIKey is LVNXWZUGQNFXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-3-4-12(2)13(7-11)8-15(19)9-14-10-18-5-6-20-16(18)17-14/h3-7,10,15,19H,8-9H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol?
1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol has a molecular weight of 286.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol is sourced from PubChem (CID 115828306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).