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

C11H11F3N4S2 — CID 106775076

IUPACN-propyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(Sc2nccs2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4S2/c1-2-3-15-7-6-8(20-10-16-4-5-19-10)18-9(17-7)11(12,13)14/h4-6H,2-3H2,1H3,(H,15,17,18)
InChIKeyUYAQBNZOVCLOPI-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.92
Rot. Bonds5

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

N-propyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775076) has the molecular formula C11H11F3N4S2 and a molecular weight of 320.37 g/mol. Its IUPAC name is N-propyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-propyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775076
Molecular FormulaC11H11F3N4S2
Molecular Weight320.37 g/mol
Exact Mass320.04
IUPAC NameN-propyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(Sc2nccs2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4S2/c1-2-3-15-7-6-8(20-10-16-4-5-19-10)18-9(17-7)11(12,13)14/h4-6H,2-3H2,1H3,(H,15,17,18)
InChIKeyUYAQBNZOVCLOPI-UHFFFAOYSA-N
XLogP3.92
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.92
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 N-propyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-propyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775076) is N-propyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-propyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-propyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is CCCNc1cc(Sc2nccs2)nc(C(F)(F)F)n1.
What is the InChIKey of N-propyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is UYAQBNZOVCLOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S2/c1-2-3-15-7-6-8(20-10-16-4-5-19-10)18-9(17-7)11(12,13)14/h4-6H,2-3H2,1H3,(H,15,17,18).
What are the key properties of N-propyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
N-propyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 320.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).