2-[[6-(imidazo[1,2-a]pyridin-3-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

C21H22N4OS — CID 78108240

IUPAC2-[[6-(imidazo[1,2-a]pyridin-3-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1nc2ccc(Cc3cnc4ccccn34)cc2s1
InChIInChI=1S/C21H22N4OS/c26-18-6-2-1-5-16(18)23-21-24-17-9-8-14(12-19(17)27-21)11-15-13-22-20-7-3-4-10-25(15)20/h3-4,7-10,12-13,16,18,26H,1-2,5-6,11H2,(H,23,24)
InChIKeyOFQLITHDMDHVSS-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.25
Rot. Bonds4

About 2-[[6-(imidazo[1,2-a]pyridin-3-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

2-[[6-(imidazo[1,2-a]pyridin-3-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol (PubChem CID 78108240) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-[[6-(imidazo[1,2-a]pyridin-3-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[6-(imidazo[1,2-a]pyridin-3-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
PubChem CID78108240
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name2-[[6-(imidazo[1,2-a]pyridin-3-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1nc2ccc(Cc3cnc4ccccn34)cc2s1
InChIInChI=1S/C21H22N4OS/c26-18-6-2-1-5-16(18)23-21-24-17-9-8-14(12-19(17)27-21)11-15-13-22-20-7-3-4-10-25(15)20/h3-4,7-10,12-13,16,18,26H,1-2,5-6,11H2,(H,23,24)
InChIKeyOFQLITHDMDHVSS-UHFFFAOYSA-N
XLogP4.25
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(imidazo[1,2-a]pyridin-3-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[6-(imidazo[1,2-a]pyridin-3-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol (CID 78108240) is 2-[[6-(imidazo[1,2-a]pyridin-3-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[6-(imidazo[1,2-a]pyridin-3-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[6-(imidazo[1,2-a]pyridin-3-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol is OC1CCCCC1Nc1nc2ccc(Cc3cnc4ccccn34)cc2s1.
What is the InChIKey of 2-[[6-(imidazo[1,2-a]pyridin-3-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol?
The InChIKey is OFQLITHDMDHVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c26-18-6-2-1-5-16(18)23-21-24-17-9-8-14(12-19(17)27-21)11-15-13-22-20-7-3-4-10-25(15)20/h3-4,7-10,12-13,16,18,26H,1-2,5-6,11H2,(H,23,24).
What are the key properties of 2-[[6-(imidazo[1,2-a]pyridin-3-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol?
2-[[6-(imidazo[1,2-a]pyridin-3-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol has a molecular weight of 378.50 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(imidazo[1,2-a]pyridin-3-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 78108240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).