(1R)-2-[[6-[(2-amino-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

C19H22N4O2S — CID 135169566

IUPAC(1R)-2-[[6-[(2-amino-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
SMILESNc1cc(COc2ccc3nc(NC4CCCC[C@H]4O)sc3c2)ccn1
InChIInChI=1S/C19H22N4O2S/c20-18-9-12(7-8-21-18)11-25-13-5-6-15-17(10-13)26-19(23-15)22-14-3-1-2-4-16(14)24/h5-10,14,16,24H,1-4,11H2,(H2,20,21)(H,22,23)/t14?,16-/m1/s1
InChIKeyXKXPWGXKVQSCJH-BZSJEYESSA-N
MW370.48 g/mol
LogP3.57
Rot. Bonds5

About (1R)-2-[[6-[(2-amino-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

(1R)-2-[[6-[(2-amino-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol (PubChem CID 135169566) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is (1R)-2-[[6-[(2-amino-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R)-2-[[6-[(2-amino-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
PubChem CID135169566
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name(1R)-2-[[6-[(2-amino-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
SMILESNc1cc(COc2ccc3nc(NC4CCCC[C@H]4O)sc3c2)ccn1
InChIInChI=1S/C19H22N4O2S/c20-18-9-12(7-8-21-18)11-25-13-5-6-15-17(10-13)26-19(23-15)22-14-3-1-2-4-16(14)24/h5-10,14,16,24H,1-4,11H2,(H2,20,21)(H,22,23)/t14?,16-/m1/s1
InChIKeyXKXPWGXKVQSCJH-BZSJEYESSA-N
XLogP3.57
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (1R)-2-[[6-[(2-amino-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[6-[(2-amino-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of (1R)-2-[[6-[(2-amino-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol (CID 135169566) is (1R)-2-[[6-[(2-amino-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for (1R)-2-[[6-[(2-amino-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for (1R)-2-[[6-[(2-amino-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol is Nc1cc(COc2ccc3nc(NC4CCCC[C@H]4O)sc3c2)ccn1.
What is the InChIKey of (1R)-2-[[6-[(2-amino-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol?
The InChIKey is XKXPWGXKVQSCJH-BZSJEYESSA-N. The full InChI is InChI=1S/C19H22N4O2S/c20-18-9-12(7-8-21-18)11-25-13-5-6-15-17(10-13)26-19(23-15)22-14-3-1-2-4-16(14)24/h5-10,14,16,24H,1-4,11H2,(H2,20,21)(H,22,23)/t14?,16-/m1/s1.
What are the key properties of (1R)-2-[[6-[(2-amino-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol?
(1R)-2-[[6-[(2-amino-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol has a molecular weight of 370.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[6-[(2-amino-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 135169566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).