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

C17H15F3N4S — CID 46943528

IUPAC4-(1-amino-2-phenylethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESNC(Cc1ccccc1)c1csc(Nc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C17H15F3N4S/c18-17(19,20)12-6-7-15(22-9-12)24-16-23-14(10-25-16)13(21)8-11-4-2-1-3-5-11/h1-7,9-10,13H,8,21H2,(H,22,23,24)
InChIKeySFDXUDKASGPRNY-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.54
Rot. Bonds5

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

4-(1-amino-2-phenylethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 46943528) has the molecular formula C17H15F3N4S and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-(1-amino-2-phenylethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-amino-2-phenylethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID46943528
Molecular FormulaC17H15F3N4S
Molecular Weight364.40 g/mol
Exact Mass364.10
IUPAC Name4-(1-amino-2-phenylethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESNC(Cc1ccccc1)c1csc(Nc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C17H15F3N4S/c18-17(19,20)12-6-7-15(22-9-12)24-16-23-14(10-25-16)13(21)8-11-4-2-1-3-5-11/h1-7,9-10,13H,8,21H2,(H,22,23,24)
InChIKeySFDXUDKASGPRNY-UHFFFAOYSA-N
XLogP4.54
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.54
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
Aminothiazole 8
CID 5329390

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-phenylethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-amino-2-phenylethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 46943528) is 4-(1-amino-2-phenylethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-amino-2-phenylethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-amino-2-phenylethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine is NC(Cc1ccccc1)c1csc(Nc2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 4-(1-amino-2-phenylethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is SFDXUDKASGPRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4S/c18-17(19,20)12-6-7-15(22-9-12)24-16-23-14(10-25-16)13(21)8-11-4-2-1-3-5-11/h1-7,9-10,13H,8,21H2,(H,22,23,24).
What are the key properties of 4-(1-amino-2-phenylethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
4-(1-amino-2-phenylethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 364.40 g/mol, XLogP of 4.54, 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-phenylethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 46943528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).