4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol

C17H26N2OS — CID 115332906

IUPAC4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
SMILESCC(C)(C)C1CCCC(O)(Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C17H26N2OS/c1-16(2,3)13-5-4-7-17(20,8-6-13)11-14-12-19-9-10-21-15(19)18-14/h9-10,12-13,20H,4-8,11H2,1-3H3
InChIKeyOYMHBQLPYMGSDI-UHFFFAOYSA-N
MW306.47 g/mol
LogP4.30
Rot. Bonds2

About 4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol

4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol (PubChem CID 115332906) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
PubChem CID115332906
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
SMILESCC(C)(C)C1CCCC(O)(Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C17H26N2OS/c1-16(2,3)13-5-4-7-17(20,8-6-13)11-14-12-19-9-10-21-15(19)18-14/h9-10,12-13,20H,4-8,11H2,1-3H3
InChIKeyOYMHBQLPYMGSDI-UHFFFAOYSA-N
XLogP4.30
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
CID 115332722
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-ol
CID 115332763
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 115333027
6-[(2-tert-butylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113289246
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylcyclohexan-1-amine
CID 113289084
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-propylcycloheptan-1-amine
CID 115333031
2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)propanoic acid
CID 115331403
4-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexane-1-carboxylic acid
CID 115335060
[3-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexyl]methanamine
CID 115335047
1-[(4-bromothiophen-2-yl)methyl]-4-tert-butylcycloheptan-1-ol
CID 65151469
6-[(3-bromo-1-methylcyclopentyl)methyl]imidazo[2,1-b][1,3]thiazole
CID 116540779
6-[(2-bromo-5-tert-butylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334166

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol?
The IUPAC name of 4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol (CID 115332906) is 4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol?
The canonical SMILES for 4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol is CC(C)(C)C1CCCC(O)(Cc2cn3ccsc3n2)CC1.
What is the InChIKey of 4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol?
The InChIKey is OYMHBQLPYMGSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-16(2,3)13-5-4-7-17(20,8-6-13)11-14-12-19-9-10-21-15(19)18-14/h9-10,12-13,20H,4-8,11H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol?
4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol has a molecular weight of 306.47 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol is sourced from PubChem (CID 115332906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).