4-[1-amino-2-(4-fluorophenyl)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine

C17H14F4N4S — CID 46942634

IUPAC4-[1-amino-2-(4-fluorophenyl)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESNC(Cc1ccc(F)cc1)c1csc(Nc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C17H14F4N4S/c18-12-4-1-10(2-5-12)7-13(22)14-9-26-16(24-14)25-15-6-3-11(8-23-15)17(19,20)21/h1-6,8-9,13H,7,22H2,(H,23,24,25)
InChIKeyAMJURJHHSHMXSR-UHFFFAOYSA-N
MW382.39 g/mol
LogP4.68
Rot. Bonds5

About 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine

4-[1-amino-2-(4-fluorophenyl)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 46942634) has the molecular formula C17H14F4N4S and a molecular weight of 382.39 g/mol. Its IUPAC name is 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-amino-2-(4-fluorophenyl)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID46942634
Molecular FormulaC17H14F4N4S
Molecular Weight382.39 g/mol
Exact Mass382.09
IUPAC Name4-[1-amino-2-(4-fluorophenyl)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESNC(Cc1ccc(F)cc1)c1csc(Nc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C17H14F4N4S/c18-12-4-1-10(2-5-12)7-13(22)14-9-26-16(24-14)25-15-6-3-11(8-23-15)17(19,20)21/h1-6,8-9,13H,7,22H2,(H,23,24,25)
InChIKeyAMJURJHHSHMXSR-UHFFFAOYSA-N
XLogP4.68
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Stf-62247
CID 704473
4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
CID 447958
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
(3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine
CID 972880
N-(1,3-Thiazol-2-yl)pyridin-2-amine 1
CID 5329323
5-phenyl-N-[5-(pyrrolidin-1-ylmethyl)pyridin-2-yl]-1,3-thiazol-2-amine
CID 5329324
5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]-1,3-thiazol-2-amine
CID 5329325
Aminothiazole 7
CID 5329389
N-(3-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329391

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 46942634) is 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine is NC(Cc1ccc(F)cc1)c1csc(Nc2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is AMJURJHHSHMXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N4S/c18-12-4-1-10(2-5-12)7-13(22)14-9-26-16(24-14)25-15-6-3-11(8-23-15)17(19,20)21/h1-6,8-9,13H,7,22H2,(H,23,24,25).
What are the key properties of 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
4-[1-amino-2-(4-fluorophenyl)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 382.39 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 46942634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).