N-cyclohexyl-6-(pyridin-4-ylmethoxy)-1,3-benzothiazol-2-amine

C19H21N3OS — CID 135157068

IUPACN-cyclohexyl-6-(pyridin-4-ylmethoxy)-1,3-benzothiazol-2-amine
SMILESc1cc(COc2ccc3nc(NC4CCCCC4)sc3c2)ccn1
InChIInChI=1S/C19H21N3OS/c1-2-4-15(5-3-1)21-19-22-17-7-6-16(12-18(17)24-19)23-13-14-8-10-20-11-9-14/h6-12,15H,1-5,13H2,(H,21,22)
InChIKeyYYLNGJNONVHTKN-UHFFFAOYSA-N
MW339.46 g/mol
LogP5.01
Rot. Bonds5

About N-cyclohexyl-6-(pyridin-4-ylmethoxy)-1,3-benzothiazol-2-amine

N-cyclohexyl-6-(pyridin-4-ylmethoxy)-1,3-benzothiazol-2-amine (PubChem CID 135157068) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-cyclohexyl-6-(pyridin-4-ylmethoxy)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-(pyridin-4-ylmethoxy)-1,3-benzothiazol-2-amine
PubChem CID135157068
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-cyclohexyl-6-(pyridin-4-ylmethoxy)-1,3-benzothiazol-2-amine
SMILESc1cc(COc2ccc3nc(NC4CCCCC4)sc3c2)ccn1
InChIInChI=1S/C19H21N3OS/c1-2-4-15(5-3-1)21-19-22-17-7-6-16(12-18(17)24-19)23-13-14-8-10-20-11-9-14/h6-12,15H,1-5,13H2,(H,21,22)
InChIKeyYYLNGJNONVHTKN-UHFFFAOYSA-N
XLogP5.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(pyridin-4-ylmethoxy)-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclohexyl-6-(pyridin-4-ylmethoxy)-1,3-benzothiazol-2-amine (CID 135157068) is N-cyclohexyl-6-(pyridin-4-ylmethoxy)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-6-(pyridin-4-ylmethoxy)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclohexyl-6-(pyridin-4-ylmethoxy)-1,3-benzothiazol-2-amine is c1cc(COc2ccc3nc(NC4CCCCC4)sc3c2)ccn1.
What is the InChIKey of N-cyclohexyl-6-(pyridin-4-ylmethoxy)-1,3-benzothiazol-2-amine?
The InChIKey is YYLNGJNONVHTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-2-4-15(5-3-1)21-19-22-17-7-6-16(12-18(17)24-19)23-13-14-8-10-20-11-9-14/h6-12,15H,1-5,13H2,(H,21,22).
What are the key properties of N-cyclohexyl-6-(pyridin-4-ylmethoxy)-1,3-benzothiazol-2-amine?
N-cyclohexyl-6-(pyridin-4-ylmethoxy)-1,3-benzothiazol-2-amine has a molecular weight of 339.46 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(pyridin-4-ylmethoxy)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 135157068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).