5-(diethylaminomethyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C15H17F4N3S — CID 118909469

IUPAC5-(diethylaminomethyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCCN(CC)Cc1sc(N)nc1-c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H17F4N3S/c1-3-22(4-2)8-12-13(21-14(20)23-12)9-5-10(15(17,18)19)7-11(16)6-9/h5-7H,3-4,8H2,1-2H3,(H2,20,21)
InChIKeyMHPAFFLHJNUSPB-UHFFFAOYSA-N
MW347.38 g/mol
LogP4.39
Rot. Bonds5

About 5-(diethylaminomethyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

5-(diethylaminomethyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 118909469) has the molecular formula C15H17F4N3S and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-(diethylaminomethyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(diethylaminomethyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID118909469
Molecular FormulaC15H17F4N3S
Molecular Weight347.38 g/mol
Exact Mass347.11
IUPAC Name5-(diethylaminomethyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCCN(CC)Cc1sc(N)nc1-c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H17F4N3S/c1-3-22(4-2)8-12-13(21-14(20)23-12)9-5-10(15(17,18)19)7-11(16)6-9/h5-7H,3-4,8H2,1-2H3,(H2,20,21)
InChIKeyMHPAFFLHJNUSPB-UHFFFAOYSA-N
XLogP4.39
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-phenyl-5-methylthiazole
CID 96129
2-Amino-4,5-diphenylthiazole
CID 73222
4-(4-Ethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 854786
5-Methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 702265
2-Thiazolamine, 5-ethyl-4-phenyl-
CID 147560
4,5-Di-p-tolyl-thiazol-2-ylamine
CID 2382939
4-(3-(Trifluoromethyl)phenyl)-1,3-thiazol-2-amine
CID 706457
4-Phenyl-5-tetradecyl-2-thiazolamine
CID 73234
4-(4-Methylphenyl)-5-propyl-1,3-thiazol-2-amine
CID 799204
4-(2-Fluoro-3-(trifluoromethyl)phenyl)thiazol-2-amine
CID 12094052
{5-[(Cyclopropylmethyl-propyl-amino)-methyl]-4-trifluoromethyl-thiazol-2-yl}-(2,4,6-trimethyl-phenyl)-amine
CID 44352448
4-(4-Fluoro-3-(trifluoromethyl)phenyl)thiazol-2-amine
CID 44449842

Frequently Asked Questions

What is the IUPAC name of 5-(diethylaminomethyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-(diethylaminomethyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 118909469) is 5-(diethylaminomethyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(diethylaminomethyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-(diethylaminomethyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is CCN(CC)Cc1sc(N)nc1-c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 5-(diethylaminomethyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is MHPAFFLHJNUSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4N3S/c1-3-22(4-2)8-12-13(21-14(20)23-12)9-5-10(15(17,18)19)7-11(16)6-9/h5-7H,3-4,8H2,1-2H3,(H2,20,21).
What are the key properties of 5-(diethylaminomethyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
5-(diethylaminomethyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 347.38 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylaminomethyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118909469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).