7-(5-chlorothiadiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine

C15H7ClF3N7S — CID 59705064

IUPAC7-(5-chlorothiadiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine
SMILESFC(F)(F)c1cnc(Nc2ccnc3nc(-c4nnsc4Cl)ccc23)nc1
InChIInChI=1S/C15H7ClF3N7S/c16-12-11(25-26-27-12)10-2-1-8-9(3-4-20-13(8)23-10)24-14-21-5-7(6-22-14)15(17,18)19/h1-6H,(H,20,21,22,23,24)
InChIKeyUTXZWBVXILVULJ-UHFFFAOYSA-N
MW409.78 g/mol
LogP4.35
Rot. Bonds3

About 7-(5-chlorothiadiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine

7-(5-chlorothiadiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine (PubChem CID 59705064) has the molecular formula C15H7ClF3N7S and a molecular weight of 409.78 g/mol. Its IUPAC name is 7-(5-chlorothiadiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name7-(5-chlorothiadiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine
PubChem CID59705064
Molecular FormulaC15H7ClF3N7S
Molecular Weight409.78 g/mol
Exact Mass409.01
IUPAC Name7-(5-chlorothiadiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine
SMILESFC(F)(F)c1cnc(Nc2ccnc3nc(-c4nnsc4Cl)ccc23)nc1
InChIInChI=1S/C15H7ClF3N7S/c16-12-11(25-26-27-12)10-2-1-8-9(3-4-20-13(8)23-10)24-14-21-5-7(6-22-14)15(17,18)19/h1-6H,(H,20,21,22,23,24)
InChIKeyUTXZWBVXILVULJ-UHFFFAOYSA-N
XLogP4.35
TPSA89.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.78
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(5-chlorothiadiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine?
The IUPAC name of 7-(5-chlorothiadiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine (CID 59705064) is 7-(5-chlorothiadiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for 7-(5-chlorothiadiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine?
The canonical SMILES for 7-(5-chlorothiadiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine is FC(F)(F)c1cnc(Nc2ccnc3nc(-c4nnsc4Cl)ccc23)nc1.
What is the InChIKey of 7-(5-chlorothiadiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine?
The InChIKey is UTXZWBVXILVULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF3N7S/c16-12-11(25-26-27-12)10-2-1-8-9(3-4-20-13(8)23-10)24-14-21-5-7(6-22-14)15(17,18)19/h1-6H,(H,20,21,22,23,24).
What are the key properties of 7-(5-chlorothiadiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine?
7-(5-chlorothiadiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine has a molecular weight of 409.78 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chlorothiadiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 59705064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).