4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine

C12H8F3N5S — CID 42646215

IUPAC4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESC1=CC=NC(=C1)NC2=NC(=C(S2)C(F)(F)F)C3=CNN=C3
InChIInChI=1S/C12H8F3N5S/c13-12(14,15)10-9(7-5-17-18-6-7)20-11(21-10)19-8-3-1-2-4-16-8/h1-6H,(H,17,18)(H,16,19,20)
InChIKeySSWUDUWSVKZLIJ-UHFFFAOYSA-N
MW311.29 g/mol
LogP3.00
Rot. Bonds3

About 4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine

4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 42646215) has the molecular formula C12H8F3N5S and a molecular weight of 311.29 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID42646215
Molecular FormulaC12H8F3N5S
Molecular Weight311.29 g/mol
Exact Mass311.05
IUPAC Name4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESC1=CC=NC(=C1)NC2=NC(=C(S2)C(F)(F)F)C3=CNN=C3
InChIInChI=1S/C12H8F3N5S/c13-12(14,15)10-9(7-5-17-18-6-7)20-11(21-10)19-8-3-1-2-4-16-8/h1-6H,(H,17,18)(H,16,19,20)
InChIKeySSWUDUWSVKZLIJ-UHFFFAOYSA-N
XLogP3.00
TPSA94.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity356

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine (CID 42646215) is 4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine is C1=CC=NC(=C1)NC2=NC(=C(S2)C(F)(F)F)C3=CNN=C3.
What is the InChIKey of 4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is SSWUDUWSVKZLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5S/c13-12(14,15)10-9(7-5-17-18-6-7)20-11(21-10)19-8-3-1-2-4-16-8/h1-6H,(H,17,18)(H,16,19,20).
What are the key properties of 4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 311.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 42646215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).