N-[2-[2-(1,2-thiazol-3-ylamino)phenoxy]phenyl]-1,2-thiazol-3-amine

C18H14N4OS2 — CID 66691034

IUPACN-[2-[2-(1,2-thiazol-3-ylamino)phenoxy]phenyl]-1,2-thiazol-3-amine
SMILESc1ccc(Oc2ccccc2Nc2ccsn2)c(Nc2ccsn2)c1
InChIInChI=1S/C18H14N4OS2/c1-3-7-15(13(5-1)19-17-9-11-24-21-17)23-16-8-4-2-6-14(16)20-18-10-12-25-22-18/h1-12H,(H,19,21)(H,20,22)
InChIKeyLYZBGXAYZLQEOX-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.88
Rot. Bonds6

About N-[2-[2-(1,2-thiazol-3-ylamino)phenoxy]phenyl]-1,2-thiazol-3-amine

N-[2-[2-(1,2-thiazol-3-ylamino)phenoxy]phenyl]-1,2-thiazol-3-amine (PubChem CID 66691034) has the molecular formula C18H14N4OS2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[2-[2-(1,2-thiazol-3-ylamino)phenoxy]phenyl]-1,2-thiazol-3-amine.

Molecular Properties

Compound NameN-[2-[2-(1,2-thiazol-3-ylamino)phenoxy]phenyl]-1,2-thiazol-3-amine
PubChem CID66691034
Molecular FormulaC18H14N4OS2
Molecular Weight366.47 g/mol
Exact Mass366.06
IUPAC NameN-[2-[2-(1,2-thiazol-3-ylamino)phenoxy]phenyl]-1,2-thiazol-3-amine
SMILESc1ccc(Oc2ccccc2Nc2ccsn2)c(Nc2ccsn2)c1
InChIInChI=1S/C18H14N4OS2/c1-3-7-15(13(5-1)19-17-9-11-24-21-17)23-16-8-4-2-6-14(16)20-18-10-12-25-22-18/h1-12H,(H,19,21)(H,20,22)
InChIKeyLYZBGXAYZLQEOX-UHFFFAOYSA-N
XLogP5.88
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1,2-thiazol-3-ylamino)phenoxy]phenyl]-1,2-thiazol-3-amine?
The IUPAC name of N-[2-[2-(1,2-thiazol-3-ylamino)phenoxy]phenyl]-1,2-thiazol-3-amine (CID 66691034) is N-[2-[2-(1,2-thiazol-3-ylamino)phenoxy]phenyl]-1,2-thiazol-3-amine.
What is the SMILES notation for N-[2-[2-(1,2-thiazol-3-ylamino)phenoxy]phenyl]-1,2-thiazol-3-amine?
The canonical SMILES for N-[2-[2-(1,2-thiazol-3-ylamino)phenoxy]phenyl]-1,2-thiazol-3-amine is c1ccc(Oc2ccccc2Nc2ccsn2)c(Nc2ccsn2)c1.
What is the InChIKey of N-[2-[2-(1,2-thiazol-3-ylamino)phenoxy]phenyl]-1,2-thiazol-3-amine?
The InChIKey is LYZBGXAYZLQEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS2/c1-3-7-15(13(5-1)19-17-9-11-24-21-17)23-16-8-4-2-6-14(16)20-18-10-12-25-22-18/h1-12H,(H,19,21)(H,20,22).
What are the key properties of N-[2-[2-(1,2-thiazol-3-ylamino)phenoxy]phenyl]-1,2-thiazol-3-amine?
N-[2-[2-(1,2-thiazol-3-ylamino)phenoxy]phenyl]-1,2-thiazol-3-amine has a molecular weight of 366.47 g/mol, XLogP of 5.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1,2-thiazol-3-ylamino)phenoxy]phenyl]-1,2-thiazol-3-amine is sourced from PubChem (CID 66691034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).