N-propyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiadiazol-5-amine

C10H12F3N5S — CID 62195596

IUPACN-propyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiadiazol-5-amine
SMILESCCCNc1snnc1Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N5S/c1-2-4-14-9-7(15-17-19-9)6-18-5-3-8(16-18)10(11,12)13/h3,5,14H,2,4,6H2,1H3
InChIKeyDFRVJYRXJMVOGG-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.62
Rot. Bonds5

About N-propyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiadiazol-5-amine

N-propyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiadiazol-5-amine (PubChem CID 62195596) has the molecular formula C10H12F3N5S and a molecular weight of 291.30 g/mol. Its IUPAC name is N-propyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-propyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiadiazol-5-amine
PubChem CID62195596
Molecular FormulaC10H12F3N5S
Molecular Weight291.30 g/mol
Exact Mass291.08
IUPAC NameN-propyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiadiazol-5-amine
SMILESCCCNc1snnc1Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N5S/c1-2-4-14-9-7(15-17-19-9)6-18-5-3-8(16-18)10(11,12)13/h3,5,14H,2,4,6H2,1H3
InChIKeyDFRVJYRXJMVOGG-UHFFFAOYSA-N
XLogP2.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiadiazol-5-amine?
The IUPAC name of N-propyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiadiazol-5-amine (CID 62195596) is N-propyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiadiazol-5-amine.
What is the SMILES notation for N-propyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiadiazol-5-amine?
The canonical SMILES for N-propyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiadiazol-5-amine is CCCNc1snnc1Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-propyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiadiazol-5-amine?
The InChIKey is DFRVJYRXJMVOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5S/c1-2-4-14-9-7(15-17-19-9)6-18-5-3-8(16-18)10(11,12)13/h3,5,14H,2,4,6H2,1H3.
What are the key properties of N-propyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiadiazol-5-amine?
N-propyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiadiazol-5-amine has a molecular weight of 291.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62195596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).