1-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C10H12ClF3N4OS — CID 47377041

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN1Cc1nnsc1Cl
InChIInChI=1S/C10H12ClF3N4OS/c11-8-6(16-17-20-8)4-18-3-1-2-7(18)9(19)15-5-10(12,13)14/h7H,1-5H2,(H,15,19)
InChIKeyPDVFEHNMKWYAIV-UHFFFAOYSA-N
MW328.75 g/mol
LogP1.83
Rot. Bonds4

About 1-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

1-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 47377041) has the molecular formula C10H12ClF3N4OS and a molecular weight of 328.75 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID47377041
Molecular FormulaC10H12ClF3N4OS
Molecular Weight328.75 g/mol
Exact Mass328.04
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN1Cc1nnsc1Cl
InChIInChI=1S/C10H12ClF3N4OS/c11-8-6(16-17-20-8)4-18-3-1-2-7(18)9(19)15-5-10(12,13)14/h7H,1-5H2,(H,15,19)
InChIKeyPDVFEHNMKWYAIV-UHFFFAOYSA-N
XLogP1.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 47377041) is 1-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is O=C(NCC(F)(F)F)C1CCCN1Cc1nnsc1Cl.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is PDVFEHNMKWYAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N4OS/c11-8-6(16-17-20-8)4-18-3-1-2-7(18)9(19)15-5-10(12,13)14/h7H,1-5H2,(H,15,19).
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
1-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 328.75 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47377041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).