5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-2-amine

C14H10F3N5S — CID 170970744

IUPAC5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESNc1ncc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)s1
InChIInChI=1S/C14H10F3N5S/c15-14(16,17)8-2-1-3-9(6-8)21-13-19-5-4-10(22-13)11-7-20-12(18)23-11/h1-7H,(H2,18,20)(H,19,21,22)
InChIKeyDUSMANQJQLNMSC-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.94
Rot. Bonds3

About 5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-2-amine

5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 170970744) has the molecular formula C14H10F3N5S and a molecular weight of 337.33 g/mol. Its IUPAC name is 5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID170970744
Molecular FormulaC14H10F3N5S
Molecular Weight337.33 g/mol
Exact Mass337.06
IUPAC Name5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESNc1ncc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)s1
InChIInChI=1S/C14H10F3N5S/c15-14(16,17)8-2-1-3-9(6-8)21-13-19-5-4-10(22-13)11-7-20-12(18)23-11/h1-7H,(H2,18,20)(H,19,21,22)
InChIKeyDUSMANQJQLNMSC-UHFFFAOYSA-N
XLogP3.94
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 14347000
5-[2-(3-nitroanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 87368526
3-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]phenol
CID 170970775
5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 87365127
5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,2-oxazole-3-carboxylic acid
CID 129318040
2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 704906
4-(1-methylindol-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 175832958
4-(1H-imidazo[4,5-b]pyridin-6-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 170970519
4-(1,3-benzodioxol-5-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 46926516
2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80927624
4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 59468418
N-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 57446828

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 170970744) is 5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-2-amine is Nc1ncc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)s1.
What is the InChIKey of 5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is DUSMANQJQLNMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5S/c15-14(16,17)8-2-1-3-9(6-8)21-13-19-5-4-10(22-13)11-7-20-12(18)23-11/h1-7H,(H2,18,20)(H,19,21,22).
What are the key properties of 5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 337.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 170970744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).