N-[3-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine

C21H19N5O2S — CID 54761909

IUPACN-[3-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine
SMILESCOc1ncccc1-c1nccnc1OC1CC(Nc2nc3ccccc3s2)C1
InChIInChI=1S/C21H19N5O2S/c1-27-19-15(5-4-8-23-19)18-20(24-10-9-22-18)28-14-11-13(12-14)25-21-26-16-6-2-3-7-17(16)29-21/h2-10,13-14H,11-12H2,1H3,(H,25,26)
InChIKeyWCSLYKOOJMKRBI-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.18
Rot. Bonds6

About N-[3-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine

N-[3-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine (PubChem CID 54761909) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[3-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[3-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine
PubChem CID54761909
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC NameN-[3-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine
SMILESCOc1ncccc1-c1nccnc1OC1CC(Nc2nc3ccccc3s2)C1
InChIInChI=1S/C21H19N5O2S/c1-27-19-15(5-4-8-23-19)18-20(24-10-9-22-18)28-14-11-13(12-14)25-21-26-16-6-2-3-7-17(16)29-21/h2-10,13-14H,11-12H2,1H3,(H,25,26)
InChIKeyWCSLYKOOJMKRBI-UHFFFAOYSA-N
XLogP4.18
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[3-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine (CID 54761909) is N-[3-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[3-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[3-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine is COc1ncccc1-c1nccnc1OC1CC(Nc2nc3ccccc3s2)C1.
What is the InChIKey of N-[3-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine?
The InChIKey is WCSLYKOOJMKRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-27-19-15(5-4-8-23-19)18-20(24-10-9-22-18)28-14-11-13(12-14)25-21-26-16-6-2-3-7-17(16)29-21/h2-10,13-14H,11-12H2,1H3,(H,25,26).
What are the key properties of N-[3-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine?
N-[3-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine has a molecular weight of 405.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 54761909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).