4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3-thiazol-2-amine

C16H12ClFN2OS — CID 28856570

IUPAC4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(OCc3c(F)cccc3Cl)cc2)cs1
InChIInChI=1S/C16H12ClFN2OS/c17-13-2-1-3-14(18)12(13)8-21-11-6-4-10(5-7-11)15-9-22-16(19)20-15/h1-7,9H,8H2,(H2,19,20)
InChIKeyFSWDULXPAAMXDY-UHFFFAOYSA-N
MW334.80 g/mol
LogP4.76
Rot. Bonds4

About 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3-thiazol-2-amine

4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3-thiazol-2-amine (PubChem CID 28856570) has the molecular formula C16H12ClFN2OS and a molecular weight of 334.80 g/mol. Its IUPAC name is 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3-thiazol-2-amine
PubChem CID28856570
Molecular FormulaC16H12ClFN2OS
Molecular Weight334.80 g/mol
Exact Mass334.03
IUPAC Name4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(OCc3c(F)cccc3Cl)cc2)cs1
InChIInChI=1S/C16H12ClFN2OS/c17-13-2-1-3-14(18)12(13)8-21-11-6-4-10(5-7-11)15-9-22-16(19)20-15/h1-7,9H,8H2,(H2,19,20)
InChIKeyFSWDULXPAAMXDY-UHFFFAOYSA-N
XLogP4.76
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-chloro-6-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine
CID 162117514
4-[2-(2-chloro-6-fluorophenyl)ethyl]-1,3-thiazol-2-amine
CID 82089063
2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 46065918
(1R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
CID 63367550
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 61496605
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 61495804
5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline
CID 39365275
dimethyl 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232733
3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 170874555
1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
CID 60627529
2-[(3,4-dichlorophenoxy)methyl]-3-fluoroaniline
CID 63331345
4-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]aniline
CID 62501412

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3-thiazol-2-amine (CID 28856570) is 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2ccc(OCc3c(F)cccc3Cl)cc2)cs1.
What is the InChIKey of 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3-thiazol-2-amine?
The InChIKey is FSWDULXPAAMXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2OS/c17-13-2-1-3-14(18)12(13)8-21-11-6-4-10(5-7-11)15-9-22-16(19)20-15/h1-7,9H,8H2,(H2,19,20).
What are the key properties of 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3-thiazol-2-amine?
4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3-thiazol-2-amine has a molecular weight of 334.80 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 28856570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).