4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine

C16H12ClFN2OS — CID 166194851

IUPAC4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1Cl
InChIInChI=1S/C16H12ClFN2OS/c1-21-15-7-2-10(8-13(15)17)14-9-22-16(20-14)19-12-5-3-11(18)4-6-12/h2-9H,1H3,(H,19,20)
InChIKeyPSFRAHSJHMFVJA-UHFFFAOYSA-N
MW334.80 g/mol
LogP5.35
Rot. Bonds4

About 4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine

4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine (PubChem CID 166194851) has the molecular formula C16H12ClFN2OS and a molecular weight of 334.80 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
PubChem CID166194851
Molecular FormulaC16H12ClFN2OS
Molecular Weight334.80 g/mol
Exact Mass334.03
IUPAC Name4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1Cl
InChIInChI=1S/C16H12ClFN2OS/c1-21-15-7-2-10(8-13(15)17)14-9-22-16(20-14)19-12-5-3-11(18)4-6-12/h2-9H,1H3,(H,19,20)
InChIKeyPSFRAHSJHMFVJA-UHFFFAOYSA-N
XLogP5.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.80
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194872
4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 142697325
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037
4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2877323
4-[4-(butylamino)phenyl]-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 163907531
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600
4-(3-chloro-4-methoxyphenyl)-N-cyclopropyl-1,3-thiazol-2-amine
CID 8750909
4-(5-fluoro-2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962514
N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840281
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-fluoro-2-iodobenzamide
CID 38928487
4-(3,4-dichlorophenyl)-N-[4-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-thiazol-2-amine
CID 127037401
N-[4-[2-(3-chloro-4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]prop-2-enamide
CID 142697324

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine (CID 166194851) is 4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is PSFRAHSJHMFVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2OS/c1-21-15-7-2-10(8-13(15)17)14-9-22-16(20-14)19-12-5-3-11(18)4-6-12/h2-9H,1H3,(H,19,20).
What are the key properties of 4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine?
4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 334.80 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 166194851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).