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

C9H8F3N5S — CID 104599695

IUPACN-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cnc(CNc2nnc(C(F)(F)F)s2)cn1
InChIInChI=1S/C9H8F3N5S/c1-5-2-14-6(3-13-5)4-15-8-17-16-7(18-8)9(10,11)12/h2-3H,4H2,1H3,(H,15,17)
InChIKeyNLHBYUXICZIELG-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.27
Rot. Bonds3

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

N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 104599695) has the molecular formula C9H8F3N5S and a molecular weight of 275.26 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID104599695
Molecular FormulaC9H8F3N5S
Molecular Weight275.26 g/mol
Exact Mass275.05
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cnc(CNc2nnc(C(F)(F)F)s2)cn1
InChIInChI=1S/C9H8F3N5S/c1-5-2-14-6(3-13-5)4-15-8-17-16-7(18-8)9(10,11)12/h2-3H,4H2,1H3,(H,15,17)
InChIKeyNLHBYUXICZIELG-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-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 104599695) is N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is Cc1cnc(CNc2nnc(C(F)(F)F)s2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is NLHBYUXICZIELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5S/c1-5-2-14-6(3-13-5)4-15-8-17-16-7(18-8)9(10,11)12/h2-3H,4H2,1H3,(H,15,17).
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-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-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 104599695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).