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

C13H18N2OS — CID 115332722

IUPAC1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
SMILESOC1(Cc2cn3ccsc3n2)CCCCCC1
InChIInChI=1S/C13H18N2OS/c16-13(5-3-1-2-4-6-13)9-11-10-15-7-8-17-12(15)14-11/h7-8,10,16H,1-6,9H2
InChIKeyDHXSSOQZMUINOP-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.02
Rot. Bonds2

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

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol (PubChem CID 115332722) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol.

Molecular Properties

Compound Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
PubChem CID115332722
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
SMILESOC1(Cc2cn3ccsc3n2)CCCCCC1
InChIInChI=1S/C13H18N2OS/c16-13(5-3-1-2-4-6-13)9-11-10-15-7-8-17-12(15)14-11/h7-8,10,16H,1-6,9H2
InChIKeyDHXSSOQZMUINOP-UHFFFAOYSA-N
XLogP3.02
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-ol
CID 115332763
4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
CID 115332906
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(1-methylcyclohexyl)ethanone
CID 106829683
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylcyclohexan-1-amine
CID 115331589
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 115334326
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopentyl]methanol
CID 115331615
[1-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol
CID 103966368
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 115334382
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine
CID 115333037
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 115335109
1-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 43169456
6-[(2-tert-butylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113289246

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol?
The IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol (CID 115332722) is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol.
What is the SMILES notation for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol?
The canonical SMILES for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol is OC1(Cc2cn3ccsc3n2)CCCCCC1.
What is the InChIKey of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol?
The InChIKey is DHXSSOQZMUINOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c16-13(5-3-1-2-4-6-13)9-11-10-15-7-8-17-12(15)14-11/h7-8,10,16H,1-6,9H2.
What are the key properties of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol?
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol has a molecular weight of 250.37 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol is sourced from PubChem (CID 115332722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).