4-[[5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol

C18H22N4O3S — CID 58285398

IUPAC4-[[5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
SMILESCOc1ccc(-c2cnc3sc(NC4CCC(O)CC4)nn23)cc1OC
InChIInChI=1S/C18H22N4O3S/c1-24-15-8-3-11(9-16(15)25-2)14-10-19-18-22(14)21-17(26-18)20-12-4-6-13(23)7-5-12/h3,8-10,12-13,23H,4-7H2,1-2H3,(H,20,21)
InChIKeyCOFGVDHLTCNWRW-UHFFFAOYSA-N
MW374.47 g/mol
LogP3.19
Rot. Bonds5

About 4-[[5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol

4-[[5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol (PubChem CID 58285398) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-[[5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
PubChem CID58285398
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name4-[[5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
SMILESCOc1ccc(-c2cnc3sc(NC4CCC(O)CC4)nn23)cc1OC
InChIInChI=1S/C18H22N4O3S/c1-24-15-8-3-11(9-16(15)25-2)14-10-19-18-22(14)21-17(26-18)20-12-4-6-13(23)7-5-12/h3,8-10,12-13,23H,4-7H2,1-2H3,(H,20,21)
InChIKeyCOFGVDHLTCNWRW-UHFFFAOYSA-N
XLogP3.19
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol (CID 58285398) is 4-[[5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol is COc1ccc(-c2cnc3sc(NC4CCC(O)CC4)nn23)cc1OC.
What is the InChIKey of 4-[[5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
The InChIKey is COFGVDHLTCNWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-24-15-8-3-11(9-16(15)25-2)14-10-19-18-22(14)21-17(26-18)20-12-4-6-13(23)7-5-12/h3,8-10,12-13,23H,4-7H2,1-2H3,(H,20,21).
What are the key properties of 4-[[5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
4-[[5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol has a molecular weight of 374.47 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 58285398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).