N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-methoxypyridin-3-amine

C15H15N3OS — CID 43721880

IUPACN-[1-(1,3-benzothiazol-2-yl)ethyl]-2-methoxypyridin-3-amine
SMILESCOc1ncccc1NC(C)c1nc2ccccc2s1
InChIInChI=1S/C15H15N3OS/c1-10(17-12-7-5-9-16-14(12)19-2)15-18-11-6-3-4-8-13(11)20-15/h3-10,17H,1-2H3
InChIKeyNIXGCHAUHNWZSG-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.87
Rot. Bonds4

About N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-methoxypyridin-3-amine

N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-methoxypyridin-3-amine (PubChem CID 43721880) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-2-methoxypyridin-3-amine
PubChem CID43721880
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-2-methoxypyridin-3-amine
SMILESCOc1ncccc1NC(C)c1nc2ccccc2s1
InChIInChI=1S/C15H15N3OS/c1-10(17-12-7-5-9-16-14(12)19-2)15-18-11-6-3-4-8-13(11)20-15/h3-10,17H,1-2H3
InChIKeyNIXGCHAUHNWZSG-UHFFFAOYSA-N
XLogP3.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-4-methylaniline
CID 60930843
N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpyridin-3-amine
CID 63329441
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-chloro-2-methylaniline
CID 43078348
2-methoxy-N-(1-thiophen-2-ylethyl)pyridin-3-amine
CID 43721891
2-methoxy-N-(1-naphthalen-2-ylethyl)pyridin-3-amine
CID 43721905
N-[1-(2-fluorophenyl)ethyl]-2-methoxypyridin-3-amine
CID 43721902
N-[1-(2-chlorophenyl)ethyl]-2-methoxypyridin-3-amine
CID 43721825
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-dichloroaniline
CID 43082359
2-methoxy-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pyridin-3-amine
CID 43786326
2-[1-(1,3-benzothiazol-2-yl)ethylamino]-6-fluorobenzonitrile
CID 43580253
2-N-(2-methoxy-3-pyridinyl)propane-1,2-diamine
CID 103388537
(1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405873

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-methoxypyridin-3-amine?
The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-methoxypyridin-3-amine (CID 43721880) is N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-methoxypyridin-3-amine.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-methoxypyridin-3-amine?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-methoxypyridin-3-amine is COc1ncccc1NC(C)c1nc2ccccc2s1.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-methoxypyridin-3-amine?
The InChIKey is NIXGCHAUHNWZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10(17-12-7-5-9-16-14(12)19-2)15-18-11-6-3-4-8-13(11)20-15/h3-10,17H,1-2H3.
What are the key properties of N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-methoxypyridin-3-amine?
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-methoxypyridin-3-amine has a molecular weight of 285.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-methoxypyridin-3-amine is sourced from PubChem (CID 43721880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).