3-(azepan-1-yl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-ol

C16H25N3OS — CID 115333323

IUPAC3-(azepan-1-yl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-ol
SMILESCC(C)(C(O)Cc1cn2ccsc2n1)N1CCCCCC1
InChIInChI=1S/C16H25N3OS/c1-16(2,19-7-5-3-4-6-8-19)14(20)11-13-12-18-9-10-21-15(18)17-13/h9-10,12,14,20H,3-8,11H2,1-2H3
InChIKeyDUGPCSVCWXEHPY-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.95
Rot. Bonds4

About 3-(azepan-1-yl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-ol

3-(azepan-1-yl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-ol (PubChem CID 115333323) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 3-(azepan-1-yl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-(azepan-1-yl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-ol
PubChem CID115333323
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name3-(azepan-1-yl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-ol
SMILESCC(C)(C(O)Cc1cn2ccsc2n1)N1CCCCCC1
InChIInChI=1S/C16H25N3OS/c1-16(2,19-7-5-3-4-6-8-19)14(20)11-13-12-18-9-10-21-15(18)17-13/h9-10,12,14,20H,3-8,11H2,1-2H3
InChIKeyDUGPCSVCWXEHPY-UHFFFAOYSA-N
XLogP2.95
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.95
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-methyl-3-pyrrolidin-1-ylbutan-2-yl)hydrazine
CID 105239505
N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 115333820
1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332915
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol
CID 115333257
1-(dimethylamino)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115333340
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-ol
CID 115828299
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-ol
CID 115333283
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-(2-methylphenyl)ethanol
CID 115332824
3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol
CID 82870128
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonylpropan-2-ol
CID 115828305

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-ol?
The IUPAC name of 3-(azepan-1-yl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-ol (CID 115333323) is 3-(azepan-1-yl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-ol.
What is the SMILES notation for 3-(azepan-1-yl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-ol?
The canonical SMILES for 3-(azepan-1-yl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-ol is CC(C)(C(O)Cc1cn2ccsc2n1)N1CCCCCC1.
What is the InChIKey of 3-(azepan-1-yl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-ol?
The InChIKey is DUGPCSVCWXEHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-16(2,19-7-5-3-4-6-8-19)14(20)11-13-12-18-9-10-21-15(18)17-13/h9-10,12,14,20H,3-8,11H2,1-2H3.
What are the key properties of 3-(azepan-1-yl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-ol?
3-(azepan-1-yl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-ol has a molecular weight of 307.46 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-ol is sourced from PubChem (CID 115333323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).