N-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine

C16H11ClF3N3S — CID 146293548

IUPACN-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(NCc2cnc(-c3ccc(Cl)cc3)s2)ccn1
InChIInChI=1S/C16H11ClF3N3S/c17-11-3-1-10(2-4-11)15-23-9-13(24-15)8-22-12-5-6-21-14(7-12)16(18,19)20/h1-7,9H,8H2,(H,21,22)
InChIKeyHEOXXGLUMYLVQE-UHFFFAOYSA-N
MW369.80 g/mol
LogP5.49
Rot. Bonds4

About N-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine

N-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 146293548) has the molecular formula C16H11ClF3N3S and a molecular weight of 369.80 g/mol. Its IUPAC name is N-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
PubChem CID146293548
Molecular FormulaC16H11ClF3N3S
Molecular Weight369.80 g/mol
Exact Mass369.03
IUPAC NameN-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(NCc2cnc(-c3ccc(Cl)cc3)s2)ccn1
InChIInChI=1S/C16H11ClF3N3S/c17-11-3-1-10(2-4-11)15-23-9-13(24-15)8-22-12-5-6-21-14(7-12)16(18,19)20/h1-7,9H,8H2,(H,21,22)
InChIKeyHEOXXGLUMYLVQE-UHFFFAOYSA-N
XLogP5.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.80
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine (CID 146293548) is N-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine is FC(F)(F)c1cc(NCc2cnc(-c3ccc(Cl)cc3)s2)ccn1.
What is the InChIKey of N-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is HEOXXGLUMYLVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3S/c17-11-3-1-10(2-4-11)15-23-9-13(24-15)8-22-12-5-6-21-14(7-12)16(18,19)20/h1-7,9H,8H2,(H,21,22).
What are the key properties of N-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
N-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 369.80 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 146293548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).