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

C10H9F3N4S2 — CID 106775077

IUPACN-ethyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(Sc2nccs2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H9F3N4S2/c1-2-14-6-5-7(19-9-15-3-4-18-9)17-8(16-6)10(11,12)13/h3-5H,2H2,1H3,(H,14,16,17)
InChIKeyKZWMYHVTRLMIID-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.53
Rot. Bonds4

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

N-ethyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775077) has the molecular formula C10H9F3N4S2 and a molecular weight of 306.34 g/mol. Its IUPAC name is N-ethyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775077
Molecular FormulaC10H9F3N4S2
Molecular Weight306.34 g/mol
Exact Mass306.02
IUPAC NameN-ethyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(Sc2nccs2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H9F3N4S2/c1-2-14-6-5-7(19-9-15-3-4-18-9)17-8(16-6)10(11,12)13/h3-5H,2H2,1H3,(H,14,16,17)
InChIKeyKZWMYHVTRLMIID-UHFFFAOYSA-N
XLogP3.53
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.53
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-ethyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775077) is N-ethyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(Sc2nccs2)nc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is KZWMYHVTRLMIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4S2/c1-2-14-6-5-7(19-9-15-3-4-18-9)17-8(16-6)10(11,12)13/h3-5H,2H2,1H3,(H,14,16,17).
What are the key properties of N-ethyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
N-ethyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 306.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).