N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine

C17H10ClFN4OS — CID 46207695

IUPACN-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine
SMILESFc1cc(Oc2nccnc2Cl)ccc1Nc1nc2ccccc2s1
InChIInChI=1S/C17H10ClFN4OS/c18-15-16(21-8-7-20-15)24-10-5-6-12(11(19)9-10)22-17-23-13-3-1-2-4-14(13)25-17/h1-9H,(H,22,23)
InChIKeyGIMGXQBCZAFEOK-UHFFFAOYSA-N
MW372.81 g/mol
LogP5.41
Rot. Bonds4

About N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine

N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine (PubChem CID 46207695) has the molecular formula C17H10ClFN4OS and a molecular weight of 372.81 g/mol. Its IUPAC name is N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine
PubChem CID46207695
Molecular FormulaC17H10ClFN4OS
Molecular Weight372.81 g/mol
Exact Mass372.02
IUPAC NameN-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine
SMILESFc1cc(Oc2nccnc2Cl)ccc1Nc1nc2ccccc2s1
InChIInChI=1S/C17H10ClFN4OS/c18-15-16(21-8-7-20-15)24-10-5-6-12(11(19)9-10)22-17-23-13-3-1-2-4-14(13)25-17/h1-9H,(H,22,23)
InChIKeyGIMGXQBCZAFEOK-UHFFFAOYSA-N
XLogP5.41
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.81
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine (CID 46207695) is N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine is Fc1cc(Oc2nccnc2Cl)ccc1Nc1nc2ccccc2s1.
What is the InChIKey of N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine?
The InChIKey is GIMGXQBCZAFEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN4OS/c18-15-16(21-8-7-20-15)24-10-5-6-12(11(19)9-10)22-17-23-13-3-1-2-4-14(13)25-17/h1-9H,(H,22,23).
What are the key properties of N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine?
N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine has a molecular weight of 372.81 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 46207695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).