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

C9H7F3N4S2 — CID 137358416

IUPAC5-[[2-(trifluoromethyl)pyrimidin-5-yl]methylsulfanyl]-1,3-thiazol-2-amine
SMILESNc1ncc(SCc2cnc(C(F)(F)F)nc2)s1
InChIInChI=1S/C9H7F3N4S2/c10-9(11,12)7-14-1-5(2-15-7)4-17-6-3-16-8(13)18-6/h1-3H,4H2,(H2,13,16)
InChIKeyYDWMMUAEEHIZJA-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.83
Rot. Bonds3

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

5-[[2-(trifluoromethyl)pyrimidin-5-yl]methylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 137358416) has the molecular formula C9H7F3N4S2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-[[2-(trifluoromethyl)pyrimidin-5-yl]methylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[2-(trifluoromethyl)pyrimidin-5-yl]methylsulfanyl]-1,3-thiazol-2-amine
PubChem CID137358416
Molecular FormulaC9H7F3N4S2
Molecular Weight292.31 g/mol
Exact Mass292.01
IUPAC Name5-[[2-(trifluoromethyl)pyrimidin-5-yl]methylsulfanyl]-1,3-thiazol-2-amine
SMILESNc1ncc(SCc2cnc(C(F)(F)F)nc2)s1
InChIInChI=1S/C9H7F3N4S2/c10-9(11,12)7-14-1-5(2-15-7)4-17-6-3-16-8(13)18-6/h1-3H,4H2,(H2,13,16)
InChIKeyYDWMMUAEEHIZJA-UHFFFAOYSA-N
XLogP2.83
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(trifluoromethyl)pyrimidin-5-yl]methylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[2-(trifluoromethyl)pyrimidin-5-yl]methylsulfanyl]-1,3-thiazol-2-amine (CID 137358416) is 5-[[2-(trifluoromethyl)pyrimidin-5-yl]methylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[2-(trifluoromethyl)pyrimidin-5-yl]methylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[2-(trifluoromethyl)pyrimidin-5-yl]methylsulfanyl]-1,3-thiazol-2-amine is Nc1ncc(SCc2cnc(C(F)(F)F)nc2)s1.
What is the InChIKey of 5-[[2-(trifluoromethyl)pyrimidin-5-yl]methylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is YDWMMUAEEHIZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4S2/c10-9(11,12)7-14-1-5(2-15-7)4-17-6-3-16-8(13)18-6/h1-3H,4H2,(H2,13,16).
What are the key properties of 5-[[2-(trifluoromethyl)pyrimidin-5-yl]methylsulfanyl]-1,3-thiazol-2-amine?
5-[[2-(trifluoromethyl)pyrimidin-5-yl]methylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 292.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(trifluoromethyl)pyrimidin-5-yl]methylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 137358416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).