1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol

C9H12N2OS2 — CID 115333257

IUPAC1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol
SMILESCSCC(O)Cc1cn2ccsc2n1
InChIInChI=1S/C9H12N2OS2/c1-13-6-8(12)4-7-5-11-2-3-14-9(11)10-7/h2-3,5,8,12H,4,6H2,1H3
InChIKeyOOXKMBAJZKSUKJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.66
Rot. Bonds4

About 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol

1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol (PubChem CID 115333257) has the molecular formula C9H12N2OS2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol
PubChem CID115333257
Molecular FormulaC9H12N2OS2
Molecular Weight228.34 g/mol
Exact Mass228.04
IUPAC Name1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol
SMILESCSCC(O)Cc1cn2ccsc2n1
InChIInChI=1S/C9H12N2OS2/c1-13-6-8(12)4-7-5-11-2-3-14-9(11)10-7/h2-3,5,8,12H,4,6H2,1H3
InChIKeyOOXKMBAJZKSUKJ-UHFFFAOYSA-N
XLogP1.66
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanylpropan-2-ol
CID 115333283
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-methylsulfonylpropan-2-ol
CID 115828305
1-imidazo[2,1-b][1,3]thiazol-6-yl-5-methoxyhexan-2-ol
CID 105120395
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanol
CID 115828185
methyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate
CID 115332918
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanylpropan-2-amine
CID 115333704
1-(cyclopropylamino)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115335079
1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115828306
1-(3,5-dimethylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332851
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
CID 115335190
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-ol
CID 115828299

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol (CID 115333257) is 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol is CSCC(O)Cc1cn2ccsc2n1.
What is the InChIKey of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol?
The InChIKey is OOXKMBAJZKSUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS2/c1-13-6-8(12)4-7-5-11-2-3-14-9(11)10-7/h2-3,5,8,12H,4,6H2,1H3.
What are the key properties of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol?
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol has a molecular weight of 228.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 115333257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).