4-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol

C16H19N5O2S — CID 67221717

IUPAC4-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
SMILESCOc1ccc(-c2cn3nc(NC4CCC(O)CC4)sc3n2)cn1
InChIInChI=1S/C16H19N5O2S/c1-23-14-7-2-10(8-17-14)13-9-21-16(19-13)24-15(20-21)18-11-3-5-12(22)6-4-11/h2,7-9,11-12,22H,3-6H2,1H3,(H,18,20)
InChIKeyREIKPMORBKZROZ-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.58
Rot. Bonds4

About 4-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol

4-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol (PubChem CID 67221717) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 4-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
PubChem CID67221717
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name4-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
SMILESCOc1ccc(-c2cn3nc(NC4CCC(O)CC4)sc3n2)cn1
InChIInChI=1S/C16H19N5O2S/c1-23-14-7-2-10(8-17-14)13-9-21-16(19-13)24-15(20-21)18-11-3-5-12(22)6-4-11/h2,7-9,11-12,22H,3-6H2,1H3,(H,18,20)
InChIKeyREIKPMORBKZROZ-UHFFFAOYSA-N
XLogP2.58
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol (CID 67221717) is 4-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol is COc1ccc(-c2cn3nc(NC4CCC(O)CC4)sc3n2)cn1.
What is the InChIKey of 4-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
The InChIKey is REIKPMORBKZROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-23-14-7-2-10(8-17-14)13-9-21-16(19-13)24-15(20-21)18-11-3-5-12(22)6-4-11/h2,7-9,11-12,22H,3-6H2,1H3,(H,18,20).
What are the key properties of 4-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
4-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol has a molecular weight of 345.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 67221717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).