2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-nitroso-1,3-thiazole

C8H5F3N4OS — CID 88581078

IUPAC2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-nitroso-1,3-thiazole
SMILESCn1nc(C(F)(F)F)cc1-c1ncc(N=O)s1
InChIInChI=1S/C8H5F3N4OS/c1-15-4(2-5(13-15)8(9,10)11)7-12-3-6(14-16)17-7/h2-3H,1H3
InChIKeyVMIGAVSBELTIRH-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.96
Rot. Bonds2

About 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-nitroso-1,3-thiazole

2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-nitroso-1,3-thiazole (PubChem CID 88581078) has the molecular formula C8H5F3N4OS and a molecular weight of 262.22 g/mol. Its IUPAC name is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-nitroso-1,3-thiazole.

Molecular Properties

Compound Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-nitroso-1,3-thiazole
PubChem CID88581078
Molecular FormulaC8H5F3N4OS
Molecular Weight262.22 g/mol
Exact Mass262.01
IUPAC Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-nitroso-1,3-thiazole
SMILESCn1nc(C(F)(F)F)cc1-c1ncc(N=O)s1
InChIInChI=1S/C8H5F3N4OS/c1-15-4(2-5(13-15)8(9,10)11)7-12-3-6(14-16)17-7/h2-3H,1H3
InChIKeyVMIGAVSBELTIRH-UHFFFAOYSA-N
XLogP2.96
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-nitroso-1,3-thiazole?
The IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-nitroso-1,3-thiazole (CID 88581078) is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-nitroso-1,3-thiazole.
What is the SMILES notation for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-nitroso-1,3-thiazole?
The canonical SMILES for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-nitroso-1,3-thiazole is Cn1nc(C(F)(F)F)cc1-c1ncc(N=O)s1.
What is the InChIKey of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-nitroso-1,3-thiazole?
The InChIKey is VMIGAVSBELTIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4OS/c1-15-4(2-5(13-15)8(9,10)11)7-12-3-6(14-16)17-7/h2-3H,1H3.
What are the key properties of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-nitroso-1,3-thiazole?
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-nitroso-1,3-thiazole has a molecular weight of 262.22 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-nitroso-1,3-thiazole is sourced from PubChem (CID 88581078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).