N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C15H10F3N7S — CID 90288309

IUPACN-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCn1cc(-c2cnc3ccc(Nc4nnc(C(F)(F)F)s4)nc3c2)cn1
InChIInChI=1S/C15H10F3N7S/c1-25-7-9(6-20-25)8-4-11-10(19-5-8)2-3-12(21-11)22-14-24-23-13(26-14)15(16,17)18/h2-7H,1H3,(H,21,22,24)
InChIKeyMXDXHCGVYVSCQW-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.64
Rot. Bonds3

About N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 90288309) has the molecular formula C15H10F3N7S and a molecular weight of 377.36 g/mol. Its IUPAC name is N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID90288309
Molecular FormulaC15H10F3N7S
Molecular Weight377.36 g/mol
Exact Mass377.07
IUPAC NameN-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCn1cc(-c2cnc3ccc(Nc4nnc(C(F)(F)F)s4)nc3c2)cn1
InChIInChI=1S/C15H10F3N7S/c1-25-7-9(6-20-25)8-4-11-10(19-5-8)2-3-12(21-11)22-14-24-23-13(26-14)15(16,17)18/h2-7H,1H3,(H,21,22,24)
InChIKeyMXDXHCGVYVSCQW-UHFFFAOYSA-N
XLogP3.64
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 90288309) is N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is Cn1cc(-c2cnc3ccc(Nc4nnc(C(F)(F)F)s4)nc3c2)cn1.
What is the InChIKey of N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is MXDXHCGVYVSCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N7S/c1-25-7-9(6-20-25)8-4-11-10(19-5-8)2-3-12(21-11)22-14-24-23-13(26-14)15(16,17)18/h2-7H,1H3,(H,21,22,24).
What are the key properties of N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 377.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 90288309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).