4-fluoro-N-[3-[3-(oxan-4-yl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine

C20H21FN4O2S — CID 54761907

IUPAC4-fluoro-N-[3-[3-(oxan-4-yl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine
SMILESFc1cccc2sc(NC3CC(Oc4nccnc4C4CCOCC4)C3)nc12
InChIInChI=1S/C20H21FN4O2S/c21-15-2-1-3-16-18(15)25-20(28-16)24-13-10-14(11-13)27-19-17(22-6-7-23-19)12-4-8-26-9-5-12/h1-3,6-7,12-14H,4-5,8-11H2,(H,24,25)
InChIKeyKPNVMKSCNLFPRS-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.14
Rot. Bonds5

About 4-fluoro-N-[3-[3-(oxan-4-yl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine

4-fluoro-N-[3-[3-(oxan-4-yl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine (PubChem CID 54761907) has the molecular formula C20H21FN4O2S and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-fluoro-N-[3-[3-(oxan-4-yl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-fluoro-N-[3-[3-(oxan-4-yl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine
PubChem CID54761907
Molecular FormulaC20H21FN4O2S
Molecular Weight400.48 g/mol
Exact Mass400.14
IUPAC Name4-fluoro-N-[3-[3-(oxan-4-yl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine
SMILESFc1cccc2sc(NC3CC(Oc4nccnc4C4CCOCC4)C3)nc12
InChIInChI=1S/C20H21FN4O2S/c21-15-2-1-3-16-18(15)25-20(28-16)24-13-10-14(11-13)27-19-17(22-6-7-23-19)12-4-8-26-9-5-12/h1-3,6-7,12-14H,4-5,8-11H2,(H,24,25)
InChIKeyKPNVMKSCNLFPRS-UHFFFAOYSA-N
XLogP4.14
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-N-[3-[3-(oxan-4-yl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

N-[2-fluoro-4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine
CID 59351278
N-[3-[3-(3-fluoro-4-methylphenyl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine
CID 54759359
N-[3-[(3-cyclohexyl-2-pyridinyl)oxy]cyclobutyl]-1,3-benzothiazol-2-amine
CID 58548636
2-[4-[(4-chloro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide
CID 146622130
N-cyclohexyl-4-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine
CID 155748502
(2,6-dimethoxyphenyl)-[3-[(4-fluoro-1,3-benzothiazol-2-yl)amino]pyrrolidin-1-yl]methanone
CID 74834716
N-cyclohexyl-6-(8-fluoroquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
CID 89325762
4-methyl-2-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
CID 58548052
N-[1-(oxan-4-yl)pyrrolidin-3-yl]-4-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 155800322
N-cyclohexyl-4,7-difluoro-1,3-benzothiazol-2-amine
CID 82549515
N-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 82549483
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxypyridine-3-carboxamide
CID 134709205

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[3-(oxan-4-yl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 4-fluoro-N-[3-[3-(oxan-4-yl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine (CID 54761907) is 4-fluoro-N-[3-[3-(oxan-4-yl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-fluoro-N-[3-[3-(oxan-4-yl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-fluoro-N-[3-[3-(oxan-4-yl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine is Fc1cccc2sc(NC3CC(Oc4nccnc4C4CCOCC4)C3)nc12.
What is the InChIKey of 4-fluoro-N-[3-[3-(oxan-4-yl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine?
The InChIKey is KPNVMKSCNLFPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2S/c21-15-2-1-3-16-18(15)25-20(28-16)24-13-10-14(11-13)27-19-17(22-6-7-23-19)12-4-8-26-9-5-12/h1-3,6-7,12-14H,4-5,8-11H2,(H,24,25).
What are the key properties of 4-fluoro-N-[3-[3-(oxan-4-yl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine?
4-fluoro-N-[3-[3-(oxan-4-yl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine has a molecular weight of 400.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[3-(oxan-4-yl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 54761907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).