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

C13H8ClF3N4S — CID 11221649

IUPACN-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazol-5-amine
SMILESCc1cc(Nc2cnc(C(F)(F)F)s2)c2ccc(Cl)nc2n1
InChIInChI=1S/C13H8ClF3N4S/c1-6-4-8(7-2-3-9(14)21-11(7)19-6)20-10-5-18-12(22-10)13(15,16)17/h2-5H,1H3,(H,19,20,21)
InChIKeyDIZFFTNLVYDUSF-UHFFFAOYSA-N
MW344.75 g/mol
LogP4.81
Rot. Bonds2

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

N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazol-5-amine (PubChem CID 11221649) has the molecular formula C13H8ClF3N4S and a molecular weight of 344.75 g/mol. Its IUPAC name is N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazol-5-amine
PubChem CID11221649
Molecular FormulaC13H8ClF3N4S
Molecular Weight344.75 g/mol
Exact Mass344.01
IUPAC NameN-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazol-5-amine
SMILESCc1cc(Nc2cnc(C(F)(F)F)s2)c2ccc(Cl)nc2n1
InChIInChI=1S/C13H8ClF3N4S/c1-6-4-8(7-2-3-9(14)21-11(7)19-6)20-10-5-18-12(22-10)13(15,16)17/h2-5H,1H3,(H,19,20,21)
InChIKeyDIZFFTNLVYDUSF-UHFFFAOYSA-N
XLogP4.81
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazol-5-amine?
The IUPAC name of N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazol-5-amine (CID 11221649) is N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazol-5-amine?
The canonical SMILES for N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazol-5-amine is Cc1cc(Nc2cnc(C(F)(F)F)s2)c2ccc(Cl)nc2n1.
What is the InChIKey of N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazol-5-amine?
The InChIKey is DIZFFTNLVYDUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N4S/c1-6-4-8(7-2-3-9(14)21-11(7)19-6)20-10-5-18-12(22-10)13(15,16)17/h2-5H,1H3,(H,19,20,21).
What are the key properties of N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazol-5-amine?
N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazol-5-amine has a molecular weight of 344.75 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 11221649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).