2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine

C19H12ClF3N6S — CID 25069680

IUPAC2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine
SMILESFC(F)(F)c1cnc(Nc2ccccc2Cl)cc1Nc1ncsc1-c1ncccn1
InChIInChI=1S/C19H12ClF3N6S/c20-12-4-1-2-5-13(12)28-15-8-14(11(9-26-15)19(21,22)23)29-18-16(30-10-27-18)17-24-6-3-7-25-17/h1-10H,(H2,26,28,29)
InChIKeySIAGZMBYEIGCQK-UHFFFAOYSA-N
MW448.86 g/mol
LogP6.15
Rot. Bonds5

About 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine

2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine (PubChem CID 25069680) has the molecular formula C19H12ClF3N6S and a molecular weight of 448.86 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine
PubChem CID25069680
Molecular FormulaC19H12ClF3N6S
Molecular Weight448.86 g/mol
Exact Mass448.05
IUPAC Name2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine
SMILESFC(F)(F)c1cnc(Nc2ccccc2Cl)cc1Nc1ncsc1-c1ncccn1
InChIInChI=1S/C19H12ClF3N6S/c20-12-4-1-2-5-13(12)28-15-8-14(11(9-26-15)19(21,22)23)29-18-16(30-10-27-18)17-24-6-3-7-25-17/h1-10H,(H2,26,28,29)
InChIKeySIAGZMBYEIGCQK-UHFFFAOYSA-N
XLogP6.15
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.86
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine?
The IUPAC name of 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine (CID 25069680) is 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine is FC(F)(F)c1cnc(Nc2ccccc2Cl)cc1Nc1ncsc1-c1ncccn1.
What is the InChIKey of 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine?
The InChIKey is SIAGZMBYEIGCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N6S/c20-12-4-1-2-5-13(12)28-15-8-14(11(9-26-15)19(21,22)23)29-18-16(30-10-27-18)17-24-6-3-7-25-17/h1-10H,(H2,26,28,29).
What are the key properties of 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine?
2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine has a molecular weight of 448.86 g/mol, XLogP of 6.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine is sourced from PubChem (CID 25069680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).