N-[(2-methylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C9H8F3N5S — CID 107304782

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nccc(CNc2nc(C(F)(F)F)ns2)n1
InChIInChI=1S/C9H8F3N5S/c1-5-13-3-2-6(15-5)4-14-8-16-7(17-18-8)9(10,11)12/h2-3H,4H2,1H3,(H,14,16,17)
InChIKeyKACHOIPRYLVOLK-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.27
Rot. Bonds3

About N-[(2-methylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-[(2-methylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304782) has the molecular formula C9H8F3N5S and a molecular weight of 275.26 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304782
Molecular FormulaC9H8F3N5S
Molecular Weight275.26 g/mol
Exact Mass275.05
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nccc(CNc2nc(C(F)(F)F)ns2)n1
InChIInChI=1S/C9H8F3N5S/c1-5-13-3-2-6(15-5)4-14-8-16-7(17-18-8)9(10,11)12/h2-3H,4H2,1H3,(H,14,16,17)
InChIKeyKACHOIPRYLVOLK-UHFFFAOYSA-N
XLogP2.27
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304782) is N-[(2-methylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is Cc1nccc(CNc2nc(C(F)(F)F)ns2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KACHOIPRYLVOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5S/c1-5-13-3-2-6(15-5)4-14-8-16-7(17-18-8)9(10,11)12/h2-3H,4H2,1H3,(H,14,16,17).
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[(2-methylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 275.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).