6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine

C8H5F3N4S2 — CID 106775074

IUPAC6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(Sc2nccs2)nc(C(F)(F)F)n1
InChIInChI=1S/C8H5F3N4S2/c9-8(10,11)6-14-4(12)3-5(15-6)17-7-13-1-2-16-7/h1-3H,(H2,12,14,15)
InChIKeyDCWZAAGKFLNEQC-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.69
Rot. Bonds2

About 6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775074) has the molecular formula C8H5F3N4S2 and a molecular weight of 278.28 g/mol. Its IUPAC name is 6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775074
Molecular FormulaC8H5F3N4S2
Molecular Weight278.28 g/mol
Exact Mass277.99
IUPAC Name6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(Sc2nccs2)nc(C(F)(F)F)n1
InChIInChI=1S/C8H5F3N4S2/c9-8(10,11)6-14-4(12)3-5(15-6)17-7-13-1-2-16-7/h1-3H,(H2,12,14,15)
InChIKeyDCWZAAGKFLNEQC-UHFFFAOYSA-N
XLogP2.69
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775074) is 6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is Nc1cc(Sc2nccs2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is DCWZAAGKFLNEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4S2/c9-8(10,11)6-14-4(12)3-5(15-6)17-7-13-1-2-16-7/h1-3H,(H2,12,14,15).
What are the key properties of 6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 278.28 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).