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

C11H7F3N6S — CID 53327922

IUPACN-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine
SMILESFC(F)(F)c1[nH]ncc1-c1nc(Nc2ncccn2)cs1
InChIInChI=1S/C11H7F3N6S/c12-11(13,14)8-6(4-17-20-8)9-18-7(5-21-9)19-10-15-2-1-3-16-10/h1-5H,(H,17,20)(H,15,16,19)
InChIKeyVOMFOULXXHRXRY-UHFFFAOYSA-N
MW312.28 g/mol
LogP3.09
Rot. Bonds3

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

N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine (PubChem CID 53327922) has the molecular formula C11H7F3N6S and a molecular weight of 312.28 g/mol. Its IUPAC name is N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine.

Molecular Properties

Compound NameN-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine
PubChem CID53327922
Molecular FormulaC11H7F3N6S
Molecular Weight312.28 g/mol
Exact Mass312.04
IUPAC NameN-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine
SMILESFC(F)(F)c1[nH]ncc1-c1nc(Nc2ncccn2)cs1
InChIInChI=1S/C11H7F3N6S/c12-11(13,14)8-6(4-17-20-8)9-18-7(5-21-9)19-10-15-2-1-3-16-10/h1-5H,(H,17,20)(H,15,16,19)
InChIKeyVOMFOULXXHRXRY-UHFFFAOYSA-N
XLogP3.09
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine?
The IUPAC name of N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine (CID 53327922) is N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine.
What is the SMILES notation for N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine?
The canonical SMILES for N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine is FC(F)(F)c1[nH]ncc1-c1nc(Nc2ncccn2)cs1.
What is the InChIKey of N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine?
The InChIKey is VOMFOULXXHRXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N6S/c12-11(13,14)8-6(4-17-20-8)9-18-7(5-21-9)19-10-15-2-1-3-16-10/h1-5H,(H,17,20)(H,15,16,19).
What are the key properties of N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine?
N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine has a molecular weight of 312.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine is sourced from PubChem (CID 53327922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).