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

C23H22N4OS — CID 89325661

IUPACN-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine
SMILESc1ccc(-c2cc(Oc3ccc4nc(NC5CCCCC5)sc4c3)ccn2)nc1
InChIInChI=1S/C23H22N4OS/c1-2-6-16(7-3-1)26-23-27-20-10-9-17(15-22(20)29-23)28-18-11-13-25-21(14-18)19-8-4-5-12-24-19/h4-5,8-16H,1-3,6-7H2,(H,26,27)
InChIKeyZMQVDOCEAVMFPB-UHFFFAOYSA-N
MW402.52 g/mol
LogP6.29
Rot. Bonds5

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

N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine (PubChem CID 89325661) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine
PubChem CID89325661
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC NameN-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine
SMILESc1ccc(-c2cc(Oc3ccc4nc(NC5CCCCC5)sc4c3)ccn2)nc1
InChIInChI=1S/C23H22N4OS/c1-2-6-16(7-3-1)26-23-27-20-10-9-17(15-22(20)29-23)28-18-11-13-25-21(14-18)19-8-4-5-12-24-19/h4-5,8-16H,1-3,6-7H2,(H,26,27)
InChIKeyZMQVDOCEAVMFPB-UHFFFAOYSA-N
XLogP6.29
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine (CID 89325661) is N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine is c1ccc(-c2cc(Oc3ccc4nc(NC5CCCCC5)sc4c3)ccn2)nc1.
What is the InChIKey of N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine?
The InChIKey is ZMQVDOCEAVMFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-2-6-16(7-3-1)26-23-27-20-10-9-17(15-22(20)29-23)28-18-11-13-25-21(14-18)19-8-4-5-12-24-19/h4-5,8-16H,1-3,6-7H2,(H,26,27).
What are the key properties of N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine?
N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine has a molecular weight of 402.52 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 89325661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).