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

C11H13F3N6S — CID 107110500

IUPAC1-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-3-amine
SMILESNc1ccn(C2CCN(c3nnc(C(F)(F)F)s3)CC2)n1
InChIInChI=1S/C11H13F3N6S/c12-11(13,14)9-16-17-10(21-9)19-4-1-7(2-5-19)20-6-3-8(15)18-20/h3,6-7H,1-2,4-5H2,(H2,15,18)
InChIKeyQCZQTQAJROHTEG-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.18
Rot. Bonds2

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

1-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-3-amine (PubChem CID 107110500) has the molecular formula C11H13F3N6S and a molecular weight of 318.33 g/mol. Its IUPAC name is 1-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-3-amine
PubChem CID107110500
Molecular FormulaC11H13F3N6S
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name1-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-3-amine
SMILESNc1ccn(C2CCN(c3nnc(C(F)(F)F)s3)CC2)n1
InChIInChI=1S/C11H13F3N6S/c12-11(13,14)9-16-17-10(21-9)19-4-1-7(2-5-19)20-6-3-8(15)18-20/h3,6-7H,1-2,4-5H2,(H2,15,18)
InChIKeyQCZQTQAJROHTEG-UHFFFAOYSA-N
XLogP2.18
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-3-amine?
The IUPAC name of 1-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-3-amine (CID 107110500) is 1-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-3-amine?
The canonical SMILES for 1-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-3-amine is Nc1ccn(C2CCN(c3nnc(C(F)(F)F)s3)CC2)n1.
What is the InChIKey of 1-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-3-amine?
The InChIKey is QCZQTQAJROHTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6S/c12-11(13,14)9-16-17-10(21-9)19-4-1-7(2-5-19)20-6-3-8(15)18-20/h3,6-7H,1-2,4-5H2,(H2,15,18).
What are the key properties of 1-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-3-amine?
1-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-3-amine has a molecular weight of 318.33 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-3-amine is sourced from PubChem (CID 107110500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).