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

C16H12F2N2OS — CID 779211

IUPAC4-(2,4-difluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(F)cc3F)cs2)cc1
InChIInChI=1S/C16H12F2N2OS/c1-21-12-5-3-11(4-6-12)19-16-20-15(9-22-16)13-7-2-10(17)8-14(13)18/h2-9H,1H3,(H,19,20)
InChIKeyQAFKHCLPBCULAG-UHFFFAOYSA-N
MW318.35 g/mol
LogP4.84
Rot. Bonds4

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

4-(2,4-difluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 779211) has the molecular formula C16H12F2N2OS and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID779211
Molecular FormulaC16H12F2N2OS
Molecular Weight318.35 g/mol
Exact Mass318.06
IUPAC Name4-(2,4-difluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(F)cc3F)cs2)cc1
InChIInChI=1S/C16H12F2N2OS/c1-21-12-5-3-11(4-6-12)19-16-20-15(9-22-16)13-7-2-10(17)8-14(13)18/h2-9H,1H3,(H,19,20)
InChIKeyQAFKHCLPBCULAG-UHFFFAOYSA-N
XLogP4.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine (CID 779211) is 4-(2,4-difluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(Nc2nc(-c3ccc(F)cc3F)cs2)cc1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is QAFKHCLPBCULAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2OS/c1-21-12-5-3-11(4-6-12)19-16-20-15(9-22-16)13-7-2-10(17)8-14(13)18/h2-9H,1H3,(H,19,20).
What are the key properties of 4-(2,4-difluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine?
4-(2,4-difluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 318.35 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 779211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).