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

C12H8F3N5S — CID 42645042

IUPACN-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1[nH]ncc1-c1csc(Nc2ccccn2)n1
InChIInChI=1S/C12H8F3N5S/c13-12(14,15)10-7(5-17-20-10)8-6-21-11(18-8)19-9-3-1-2-4-16-9/h1-6H,(H,17,20)(H,16,18,19)
InChIKeyMIFHSLLAXDOOQZ-UHFFFAOYSA-N
MW311.29 g/mol
LogP3.69
Rot. Bonds3

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

N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 42645042) has the molecular formula C12H8F3N5S and a molecular weight of 311.29 g/mol. Its IUPAC name is N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine
PubChem CID42645042
Molecular FormulaC12H8F3N5S
Molecular Weight311.29 g/mol
Exact Mass311.05
IUPAC NameN-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1[nH]ncc1-c1csc(Nc2ccccn2)n1
InChIInChI=1S/C12H8F3N5S/c13-12(14,15)10-7(5-17-20-10)8-6-21-11(18-8)19-9-3-1-2-4-16-9/h1-6H,(H,17,20)(H,16,18,19)
InChIKeyMIFHSLLAXDOOQZ-UHFFFAOYSA-N
XLogP3.69
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine (CID 42645042) is N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine is FC(F)(F)c1[nH]ncc1-c1csc(Nc2ccccn2)n1.
What is the InChIKey of N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine?
The InChIKey is MIFHSLLAXDOOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5S/c13-12(14,15)10-7(5-17-20-10)8-6-21-11(18-8)19-9-3-1-2-4-16-9/h1-6H,(H,17,20)(H,16,18,19).
What are the key properties of N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine?
N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 311.29 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 42645042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).