4-[[6-[[6-[5-(2-hydroxyethoxy)-3-pyridinyl]-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol

C25H27N5O3S — CID 53380660

IUPAC4-[[6-[[6-[5-(2-hydroxyethoxy)-3-pyridinyl]-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol
SMILESOCCOc1cncc(-c2ccc3nc(Nc4cccc(NC5CCC(O)CC5)n4)sc3c2)c1
InChIInChI=1S/C25H27N5O3S/c31-10-11-33-20-12-17(14-26-15-20)16-4-9-21-22(13-16)34-25(28-21)30-24-3-1-2-23(29-24)27-18-5-7-19(32)8-6-18/h1-4,9,12-15,18-19,31-32H,5-8,10-11H2,(H2,27,28,29,30)
InChIKeyPAIVCYGFHUZOSM-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.58
Rot. Bonds8

About 4-[[6-[[6-[5-(2-hydroxyethoxy)-3-pyridinyl]-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol

4-[[6-[[6-[5-(2-hydroxyethoxy)-3-pyridinyl]-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol (PubChem CID 53380660) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 4-[[6-[[6-[5-(2-hydroxyethoxy)-3-pyridinyl]-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[6-[[6-[5-(2-hydroxyethoxy)-3-pyridinyl]-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol
PubChem CID53380660
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name4-[[6-[[6-[5-(2-hydroxyethoxy)-3-pyridinyl]-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol
SMILESOCCOc1cncc(-c2ccc3nc(Nc4cccc(NC5CCC(O)CC5)n4)sc3c2)c1
InChIInChI=1S/C25H27N5O3S/c31-10-11-33-20-12-17(14-26-15-20)16-4-9-21-22(13-16)34-25(28-21)30-24-3-1-2-23(29-24)27-18-5-7-19(32)8-6-18/h1-4,9,12-15,18-19,31-32H,5-8,10-11H2,(H2,27,28,29,30)
InChIKeyPAIVCYGFHUZOSM-UHFFFAOYSA-N
XLogP4.58
TPSA112.42 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-[[6-[[6-[5-(2-hydroxyethoxy)-3-pyridinyl]-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-methyl-1,3-benzothiazol-2-yl)amino]-2-pyridinyl]amino]cyclohexan-1-ol
CID 53379572
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
1-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[6-[5-(2-hydroxyethoxy)-3-pyridinyl]-1,3-benzothiazol-2-yl]urea
CID 89034294
4-[[6-[[6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]iminomethyl]cyclohexan-1-ol
CID 123547118
5-[2-[[6-[(4-hydroxycyclohexyl)amino]-4-(hydroxymethyl)-2-pyridinyl]amino]-1,3-benzothiazol-4-yl]pyridine-3-carbonitrile
CID 87383077
4-[[4-benzyl-6-[[6-(hydroxymethyl)-1,3-benzothiazol-2-yl]amino]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 46912380
2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-benzothiazole-6-carboxamide
CID 117092147
N-cyclohexyl-6-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89225496
N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89225564

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[[6-[5-(2-hydroxyethoxy)-3-pyridinyl]-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[6-[[6-[5-(2-hydroxyethoxy)-3-pyridinyl]-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol (CID 53380660) is 4-[[6-[[6-[5-(2-hydroxyethoxy)-3-pyridinyl]-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[6-[[6-[5-(2-hydroxyethoxy)-3-pyridinyl]-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[6-[[6-[5-(2-hydroxyethoxy)-3-pyridinyl]-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol is OCCOc1cncc(-c2ccc3nc(Nc4cccc(NC5CCC(O)CC5)n4)sc3c2)c1.
What is the InChIKey of 4-[[6-[[6-[5-(2-hydroxyethoxy)-3-pyridinyl]-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol?
The InChIKey is PAIVCYGFHUZOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c31-10-11-33-20-12-17(14-26-15-20)16-4-9-21-22(13-16)34-25(28-21)30-24-3-1-2-23(29-24)27-18-5-7-19(32)8-6-18/h1-4,9,12-15,18-19,31-32H,5-8,10-11H2,(H2,27,28,29,30).
What are the key properties of 4-[[6-[[6-[5-(2-hydroxyethoxy)-3-pyridinyl]-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol?
4-[[6-[[6-[5-(2-hydroxyethoxy)-3-pyridinyl]-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol has a molecular weight of 477.59 g/mol, XLogP of 4.58, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[[6-[5-(2-hydroxyethoxy)-3-pyridinyl]-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 53380660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).