N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C9H10F3N5OS — CID 107304852

IUPACN-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCn1cc(Nc2nc(C(F)(F)F)ns2)cn1
InChIInChI=1S/C9H10F3N5OS/c1-18-3-2-17-5-6(4-13-17)14-8-15-7(16-19-8)9(10,11)12/h4-5H,2-3H2,1H3,(H,14,15,16)
InChIKeyFYHCHEHPNFBXIT-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.14
Rot. Bonds5

About N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304852) has the molecular formula C9H10F3N5OS and a molecular weight of 293.27 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304852
Molecular FormulaC9H10F3N5OS
Molecular Weight293.27 g/mol
Exact Mass293.06
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCn1cc(Nc2nc(C(F)(F)F)ns2)cn1
InChIInChI=1S/C9H10F3N5OS/c1-18-3-2-17-5-6(4-13-17)14-8-15-7(16-19-8)9(10,11)12/h4-5H,2-3H2,1H3,(H,14,15,16)
InChIKeyFYHCHEHPNFBXIT-UHFFFAOYSA-N
XLogP2.14
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304852) is N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is COCCn1cc(Nc2nc(C(F)(F)F)ns2)cn1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is FYHCHEHPNFBXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5OS/c1-18-3-2-17-5-6(4-13-17)14-8-15-7(16-19-8)9(10,11)12/h4-5H,2-3H2,1H3,(H,14,15,16).
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 293.27 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).