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

C16H8ClF3N6S — CID 69323404

IUPAC7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine
SMILESFC(F)(F)c1cnc(Nc2ccnc3nc(-c4ncsc4Cl)ccc23)nc1
InChIInChI=1S/C16H8ClF3N6S/c17-13-12(24-7-27-13)11-2-1-9-10(3-4-21-14(9)25-11)26-15-22-5-8(6-23-15)16(18,19)20/h1-7H,(H,21,22,23,25,26)
InChIKeyTYEKJYQYVMZKSW-UHFFFAOYSA-N
MW408.80 g/mol
LogP4.96
Rot. Bonds3

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

7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine (PubChem CID 69323404) has the molecular formula C16H8ClF3N6S and a molecular weight of 408.80 g/mol. Its IUPAC name is 7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine
PubChem CID69323404
Molecular FormulaC16H8ClF3N6S
Molecular Weight408.80 g/mol
Exact Mass408.02
IUPAC Name7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine
SMILESFC(F)(F)c1cnc(Nc2ccnc3nc(-c4ncsc4Cl)ccc23)nc1
InChIInChI=1S/C16H8ClF3N6S/c17-13-12(24-7-27-13)11-2-1-9-10(3-4-21-14(9)25-11)26-15-22-5-8(6-23-15)16(18,19)20/h1-7H,(H,21,22,23,25,26)
InChIKeyTYEKJYQYVMZKSW-UHFFFAOYSA-N
XLogP4.96
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.80
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine?
The IUPAC name of 7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine (CID 69323404) is 7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for 7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine?
The canonical SMILES for 7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine is FC(F)(F)c1cnc(Nc2ccnc3nc(-c4ncsc4Cl)ccc23)nc1.
What is the InChIKey of 7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine?
The InChIKey is TYEKJYQYVMZKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF3N6S/c17-13-12(24-7-27-13)11-2-1-9-10(3-4-21-14(9)25-11)26-15-22-5-8(6-23-15)16(18,19)20/h1-7H,(H,21,22,23,25,26).
What are the key properties of 7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine?
7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine has a molecular weight of 408.80 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-1,3-thiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 69323404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).