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

C17H15FN2S — CID 793809

IUPACN-(3,4-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1C
InChIInChI=1S/C17H15FN2S/c1-11-3-8-15(9-12(11)2)19-17-20-16(10-21-17)13-4-6-14(18)7-5-13/h3-10H,1-2H3,(H,19,20)
InChIKeyUYOJEBPRKSEUGP-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.31
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine (PubChem CID 793809) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
PubChem CID793809
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC NameN-(3,4-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1C
InChIInChI=1S/C17H15FN2S/c1-11-3-8-15(9-12(11)2)19-17-20-16(10-21-17)13-4-6-14(18)7-5-13/h3-10H,1-2H3,(H,19,20)
InChIKeyUYOJEBPRKSEUGP-UHFFFAOYSA-N
XLogP5.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine (CID 793809) is N-(3,4-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is UYOJEBPRKSEUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c1-11-3-8-15(9-12(11)2)19-17-20-16(10-21-17)13-4-6-14(18)7-5-13/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(3,4-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
N-(3,4-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 298.39 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 793809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).