N-cyclohexyl-6-[[2-(2-cyclopropylethynyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine

C23H23N3OS — CID 143564351

IUPACN-cyclohexyl-6-[[2-(2-cyclopropylethynyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
SMILESC(#CC1CC1)c1cc(Oc2ccc3nc(NC4CCCCC4)sc3c2)ccn1
InChIInChI=1S/C23H23N3OS/c1-2-4-17(5-3-1)25-23-26-21-11-10-19(15-22(21)28-23)27-20-12-13-24-18(14-20)9-8-16-6-7-16/h10-17H,1-7H2,(H,25,26)
InChIKeyACNVUEMDYWXQJF-UHFFFAOYSA-N
MW389.52 g/mol
LogP5.99
Rot. Bonds4

About N-cyclohexyl-6-[[2-(2-cyclopropylethynyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine

N-cyclohexyl-6-[[2-(2-cyclopropylethynyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine (PubChem CID 143564351) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is N-cyclohexyl-6-[[2-(2-cyclopropylethynyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-[[2-(2-cyclopropylethynyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
PubChem CID143564351
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC NameN-cyclohexyl-6-[[2-(2-cyclopropylethynyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
SMILESC(#CC1CC1)c1cc(Oc2ccc3nc(NC4CCCCC4)sc3c2)ccn1
InChIInChI=1S/C23H23N3OS/c1-2-4-17(5-3-1)25-23-26-21-11-10-19(15-22(21)28-23)27-20-12-13-24-18(14-20)9-8-16-6-7-16/h10-17H,1-7H2,(H,25,26)
InChIKeyACNVUEMDYWXQJF-UHFFFAOYSA-N
XLogP5.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-cyclohexyl-6-[[2-(2-cyclopropylethynyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine
CID 89325661
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
N-cyclohexyl-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89325676
N-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
CID 89325887
N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89225564
N-cyclohexyl-6-(8-fluoroquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
CID 89325762
6-[[2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
CID 89325539
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
N-cyclohexyl-6-[[2-[1-(1,3-dioxolan-2-ylmethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89325778
N-cyclohexyl-6-[[2-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89325666
N-cyclohexyl-6-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89225496
N-cyclohexyl-6-[[2-[1-(2-methoxyethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89325750

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[[2-(2-cyclopropylethynyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclohexyl-6-[[2-(2-cyclopropylethynyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine (CID 143564351) is N-cyclohexyl-6-[[2-(2-cyclopropylethynyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-6-[[2-(2-cyclopropylethynyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclohexyl-6-[[2-(2-cyclopropylethynyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine is C(#CC1CC1)c1cc(Oc2ccc3nc(NC4CCCCC4)sc3c2)ccn1.
What is the InChIKey of N-cyclohexyl-6-[[2-(2-cyclopropylethynyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
The InChIKey is ACNVUEMDYWXQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS/c1-2-4-17(5-3-1)25-23-26-21-11-10-19(15-22(21)28-23)27-20-12-13-24-18(14-20)9-8-16-6-7-16/h10-17H,1-7H2,(H,25,26).
What are the key properties of N-cyclohexyl-6-[[2-(2-cyclopropylethynyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
N-cyclohexyl-6-[[2-(2-cyclopropylethynyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine has a molecular weight of 389.52 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[[2-(2-cyclopropylethynyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 143564351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).