7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine

C17H9ClF3N5S — CID 59705121

IUPAC7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncsc4Cl)ccc23)nc1
InChIInChI=1S/C17H9ClF3N5S/c18-15-14(24-8-27-15)12-3-2-10-11(5-6-22-16(10)26-12)25-13-4-1-9(7-23-13)17(19,20)21/h1-8H,(H,22,23,25,26)
InChIKeyAROHDGMQPCAVJB-UHFFFAOYSA-N
MW407.81 g/mol
LogP5.56
Rot. Bonds3

About 7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine

7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine (PubChem CID 59705121) has the molecular formula C17H9ClF3N5S and a molecular weight of 407.81 g/mol. Its IUPAC name is 7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
PubChem CID59705121
Molecular FormulaC17H9ClF3N5S
Molecular Weight407.81 g/mol
Exact Mass407.02
IUPAC Name7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncsc4Cl)ccc23)nc1
InChIInChI=1S/C17H9ClF3N5S/c18-15-14(24-8-27-15)12-3-2-10-11(5-6-22-16(10)26-12)25-13-4-1-9(7-23-13)17(19,20)21/h1-8H,(H,22,23,25,26)
InChIKeyAROHDGMQPCAVJB-UHFFFAOYSA-N
XLogP5.56
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.81
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The IUPAC name of 7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine (CID 59705121) is 7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for 7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The canonical SMILES for 7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine is FC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncsc4Cl)ccc23)nc1.
What is the InChIKey of 7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The InChIKey is AROHDGMQPCAVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3N5S/c18-15-14(24-8-27-15)12-3-2-10-11(5-6-22-16(10)26-12)25-13-4-1-9(7-23-13)17(19,20)21/h1-8H,(H,22,23,25,26).
What are the key properties of 7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine has a molecular weight of 407.81 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 59705121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).