4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N,5-N-bis(2-methoxyethyl)-1,3-thiazole-2,5-diamine

C16H19F4N3O2S — CID 130254296

IUPAC4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N,5-N-bis(2-methoxyethyl)-1,3-thiazole-2,5-diamine
SMILESCOCCN(CCOC)c1sc(N)nc1-c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H19F4N3O2S/c1-24-5-3-23(4-6-25-2)14-13(22-15(21)26-14)10-7-11(16(18,19)20)9-12(17)8-10/h7-9H,3-6H2,1-2H3,(H2,21,22)
InChIKeyPVIXGDPIXWEPPO-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.65
Rot. Bonds8

About 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N,5-N-bis(2-methoxyethyl)-1,3-thiazole-2,5-diamine

4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N,5-N-bis(2-methoxyethyl)-1,3-thiazole-2,5-diamine (PubChem CID 130254296) has the molecular formula C16H19F4N3O2S and a molecular weight of 393.41 g/mol. Its IUPAC name is 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N,5-N-bis(2-methoxyethyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N,5-N-bis(2-methoxyethyl)-1,3-thiazole-2,5-diamine
PubChem CID130254296
Molecular FormulaC16H19F4N3O2S
Molecular Weight393.41 g/mol
Exact Mass393.11
IUPAC Name4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N,5-N-bis(2-methoxyethyl)-1,3-thiazole-2,5-diamine
SMILESCOCCN(CCOC)c1sc(N)nc1-c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H19F4N3O2S/c1-24-5-3-23(4-6-25-2)14-13(22-15(21)26-14)10-7-11(16(18,19)20)9-12(17)8-10/h7-9H,3-6H2,1-2H3,(H2,21,22)
InChIKeyPVIXGDPIXWEPPO-UHFFFAOYSA-N
XLogP3.65
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N,5-N-bis(2-methoxyethyl)-1,3-thiazole-2,5-diamine with MolForge

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Related Compounds

4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-1,3-thiazole-2,5-diamine
CID 131999375
4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 138638587
5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 126741263
methyl 2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 106510147
6-N-ethyl-6-N-(2-methoxyethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717821
2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-(2-methoxyethyl)amino]ethanol
CID 102719240
5-[(2-ethylpyrrolidin-1-yl)methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 129016603
6-N-(2-methoxyethyl)-6-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717990
3-N,3-N-bis(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28818239
6-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine
CID 53354631
methyl 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 115350310
3-(3,5-difluorophenyl)-N-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 166239120

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N,5-N-bis(2-methoxyethyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N,5-N-bis(2-methoxyethyl)-1,3-thiazole-2,5-diamine (CID 130254296) is 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N,5-N-bis(2-methoxyethyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N,5-N-bis(2-methoxyethyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N,5-N-bis(2-methoxyethyl)-1,3-thiazole-2,5-diamine is COCCN(CCOC)c1sc(N)nc1-c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N,5-N-bis(2-methoxyethyl)-1,3-thiazole-2,5-diamine?
The InChIKey is PVIXGDPIXWEPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F4N3O2S/c1-24-5-3-23(4-6-25-2)14-13(22-15(21)26-14)10-7-11(16(18,19)20)9-12(17)8-10/h7-9H,3-6H2,1-2H3,(H2,21,22).
What are the key properties of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N,5-N-bis(2-methoxyethyl)-1,3-thiazole-2,5-diamine?
4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N,5-N-bis(2-methoxyethyl)-1,3-thiazole-2,5-diamine has a molecular weight of 393.41 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N,5-N-bis(2-methoxyethyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 130254296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).