N-[[2-(6-chloro-3-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine

C15H10ClF3N4S — CID 146293581

IUPACN-[[2-(6-chloro-3-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(NCc2cnc(-c3ccc(Cl)nc3)s2)ccn1
InChIInChI=1S/C15H10ClF3N4S/c16-13-2-1-9(6-22-13)14-23-8-11(24-14)7-21-10-3-4-20-12(5-10)15(17,18)19/h1-6,8H,7H2,(H,20,21)
InChIKeyCSDHDCYUYAJJTN-UHFFFAOYSA-N
MW370.79 g/mol
LogP4.88
Rot. Bonds4

About N-[[2-(6-chloro-3-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine

N-[[2-(6-chloro-3-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 146293581) has the molecular formula C15H10ClF3N4S and a molecular weight of 370.79 g/mol. Its IUPAC name is N-[[2-(6-chloro-3-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[[2-(6-chloro-3-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
PubChem CID146293581
Molecular FormulaC15H10ClF3N4S
Molecular Weight370.79 g/mol
Exact Mass370.03
IUPAC NameN-[[2-(6-chloro-3-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(NCc2cnc(-c3ccc(Cl)nc3)s2)ccn1
InChIInChI=1S/C15H10ClF3N4S/c16-13-2-1-9(6-22-13)14-23-8-11(24-14)7-21-10-3-4-20-12(5-10)15(17,18)19/h1-6,8H,7H2,(H,20,21)
InChIKeyCSDHDCYUYAJJTN-UHFFFAOYSA-N
XLogP4.88
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 54.88
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-[[2-(6-chloro-3-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-[[2-(6-chloro-3-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine (CID 146293581) is N-[[2-(6-chloro-3-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-[[2-(6-chloro-3-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-[[2-(6-chloro-3-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine is FC(F)(F)c1cc(NCc2cnc(-c3ccc(Cl)nc3)s2)ccn1.
What is the InChIKey of N-[[2-(6-chloro-3-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is CSDHDCYUYAJJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4S/c16-13-2-1-9(6-22-13)14-23-8-11(24-14)7-21-10-3-4-20-12(5-10)15(17,18)19/h1-6,8H,7H2,(H,20,21).
What are the key properties of N-[[2-(6-chloro-3-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
N-[[2-(6-chloro-3-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 370.79 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6-chloro-3-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 146293581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).