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

C19H22N4OS — CID 53379572

IUPAC4-[[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-pyridinyl]amino]cyclohexan-1-ol
SMILESCc1ccc2nc(Nc3cccc(NC4CCC(O)CC4)n3)sc2c1
InChIInChI=1S/C19H22N4OS/c1-12-5-10-15-16(11-12)25-19(21-15)23-18-4-2-3-17(22-18)20-13-6-8-14(24)9-7-13/h2-5,10-11,13-14,24H,6-9H2,1H3,(H2,20,21,22,23)
InChIKeyMNDWOSFWYBKBFR-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.46
Rot. Bonds4

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

4-[[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-pyridinyl]amino]cyclohexan-1-ol (PubChem CID 53379572) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-[[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-pyridinyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-pyridinyl]amino]cyclohexan-1-ol
PubChem CID53379572
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name4-[[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-pyridinyl]amino]cyclohexan-1-ol
SMILESCc1ccc2nc(Nc3cccc(NC4CCC(O)CC4)n3)sc2c1
InChIInChI=1S/C19H22N4OS/c1-12-5-10-15-16(11-12)25-19(21-15)23-18-4-2-3-17(22-18)20-13-6-8-14(24)9-7-13/h2-5,10-11,13-14,24H,6-9H2,1H3,(H2,20,21,22,23)
InChIKeyMNDWOSFWYBKBFR-UHFFFAOYSA-N
XLogP4.46
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

4-[[6-[[6-(1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol
CID 87382938
5-[2-[[6-[(4-hydroxycyclohexyl)amino]-2-pyridinyl]amino]-1,3-benzothiazol-6-yl]-N-methylpyridine-2-carboxamide
CID 123946998
4-[[6-[[6-(1-ethylindol-6-yl)-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol
CID 87386684
6-N-(4-aminocyclohexyl)-2-N-(6-bromo-1,3-benzothiazol-2-yl)pyridine-2,6-diamine
CID 53379786
4-[[6-[[6-[5-(2-hydroxyethoxy)-3-pyridinyl]-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol
CID 53380660
N-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine
CID 87379371
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
6-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 132581595
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410
4-[[4-benzyl-6-[(6-propyl-1,3-benzothiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 87070553
N-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79142849
4-[[4-benzyl-6-[[6-(hydroxymethyl)-1,3-benzothiazol-2-yl]amino]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 46912380

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-pyridinyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-pyridinyl]amino]cyclohexan-1-ol (CID 53379572) is 4-[[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-pyridinyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-pyridinyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-pyridinyl]amino]cyclohexan-1-ol is Cc1ccc2nc(Nc3cccc(NC4CCC(O)CC4)n3)sc2c1.
What is the InChIKey of 4-[[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-pyridinyl]amino]cyclohexan-1-ol?
The InChIKey is MNDWOSFWYBKBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-12-5-10-15-16(11-12)25-19(21-15)23-18-4-2-3-17(22-18)20-13-6-8-14(24)9-7-13/h2-5,10-11,13-14,24H,6-9H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-[[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-pyridinyl]amino]cyclohexan-1-ol?
4-[[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-pyridinyl]amino]cyclohexan-1-ol has a molecular weight of 354.48 g/mol, XLogP of 4.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-pyridinyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 53379572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).