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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Related Compounds

N-(2-pyridin-2-yloxyphenyl)pyridin-2-amine
CID 155146447
6-chloro-N-(2-phenoxyphenyl)pyridazin-3-amine
CID 43329642
6-bromo-N-(2-phenoxyphenyl)pyridin-2-amine
CID 63963847
6-chloro-N-(2-phenoxyphenyl)pyrazin-2-amine
CID 63548200
6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112926974
N-methyl-2-phenoxyaniline
CID 22961955
N-(2-phenoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068099
2-(2-phenoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171700
5-N-(2-methoxyphenyl)-3-N-(2-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967105
2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112901866
N-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113048089
N-[6-(2-phenoxyanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113050613

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).