trans-(1R,2R)-2-[[6-(imidazo[2,1-b][1,3]thiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

C19H20N4OS2 — CID 86681153

IUPACtrans-(1R,2R)-2-[[6-(imidazo[2,1-b][1,3]thiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Nc1nc2ccc(Cc3cnc4sccn34)cc2s1
InChIInChI=1S/C19H20N4OS2/c24-16-4-2-1-3-14(16)21-18-22-15-6-5-12(10-17(15)26-18)9-13-11-20-19-23(13)7-8-25-19/h5-8,10-11,14,16,24H,1-4,9H2,(H,21,22)/t14-,16-/m1/s1
InChIKeySRUQFXJKNIHZSV-GDBMZVCRSA-N
MW384.53 g/mol
LogP4.31
Rot. Bonds4

About trans-(1R,2R)-2-[[6-(imidazo[2,1-b][1,3]thiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

trans-(1R,2R)-2-[[6-(imidazo[2,1-b][1,3]thiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol (PubChem CID 86681153) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[6-(imidazo[2,1-b][1,3]thiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[6-(imidazo[2,1-b][1,3]thiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
PubChem CID86681153
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC Nametrans-(1R,2R)-2-[[6-(imidazo[2,1-b][1,3]thiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Nc1nc2ccc(Cc3cnc4sccn34)cc2s1
InChIInChI=1S/C19H20N4OS2/c24-16-4-2-1-3-14(16)21-18-22-15-6-5-12(10-17(15)26-18)9-13-11-20-19-23(13)7-8-25-19/h5-8,10-11,14,16,24H,1-4,9H2,(H,21,22)/t14-,16-/m1/s1
InChIKeySRUQFXJKNIHZSV-GDBMZVCRSA-N
XLogP4.31
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[6-(imidazo[2,1-b][1,3]thiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[[6-(imidazo[2,1-b][1,3]thiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol (CID 86681153) is trans-(1R,2R)-2-[[6-(imidazo[2,1-b][1,3]thiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[[6-(imidazo[2,1-b][1,3]thiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[[6-(imidazo[2,1-b][1,3]thiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1Nc1nc2ccc(Cc3cnc4sccn34)cc2s1.
What is the InChIKey of trans-(1R,2R)-2-[[6-(imidazo[2,1-b][1,3]thiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol?
The InChIKey is SRUQFXJKNIHZSV-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H20N4OS2/c24-16-4-2-1-3-14(16)21-18-22-15-6-5-12(10-17(15)26-18)9-13-11-20-19-23(13)7-8-25-19/h5-8,10-11,14,16,24H,1-4,9H2,(H,21,22)/t14-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[6-(imidazo[2,1-b][1,3]thiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[[6-(imidazo[2,1-b][1,3]thiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol has a molecular weight of 384.53 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[6-(imidazo[2,1-b][1,3]thiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 86681153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).