N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine

C10H9F3N4S — CID 62198425

IUPACN-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCCc2nccs2)n1
InChIInChI=1S/C10H9F3N4S/c11-10(12,13)7-1-3-15-9(17-7)16-4-2-8-14-5-6-18-8/h1,3,5-6H,2,4H2,(H,15,16,17)
InChIKeyXFMZRXQDIRWGCX-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.61
Rot. Bonds4

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

N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 62198425) has the molecular formula C10H9F3N4S and a molecular weight of 274.27 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID62198425
Molecular FormulaC10H9F3N4S
Molecular Weight274.27 g/mol
Exact Mass274.05
IUPAC NameN-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCCc2nccs2)n1
InChIInChI=1S/C10H9F3N4S/c11-10(12,13)7-1-3-15-9(17-7)16-4-2-8-14-5-6-18-8/h1,3,5-6H,2,4H2,(H,15,16,17)
InChIKeyXFMZRXQDIRWGCX-UHFFFAOYSA-N
XLogP2.61
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 62198425) is N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(NCCc2nccs2)n1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is XFMZRXQDIRWGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4S/c11-10(12,13)7-1-3-15-9(17-7)16-4-2-8-14-5-6-18-8/h1,3,5-6H,2,4H2,(H,15,16,17).
What are the key properties of N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 274.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 62198425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).