3-(dimethylamino)-4-methylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide

C11H16F3N5OS2 — CID 75449722

IUPAC3-(dimethylamino)-4-methylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide
SMILESCSC1CN(C(=O)Nc2nnc(C(F)(F)F)s2)CC1N(C)C
InChIInChI=1S/C11H16F3N5OS2/c1-18(2)6-4-19(5-7(6)21-3)10(20)15-9-17-16-8(22-9)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,17,20)
InChIKeyYWGMZYKFXMOBOL-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.07
Rot. Bonds3

About 3-(dimethylamino)-4-methylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide

3-(dimethylamino)-4-methylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 75449722) has the molecular formula C11H16F3N5OS2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 3-(dimethylamino)-4-methylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-4-methylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide
PubChem CID75449722
Molecular FormulaC11H16F3N5OS2
Molecular Weight355.41 g/mol
Exact Mass355.07
IUPAC Name3-(dimethylamino)-4-methylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide
SMILESCSC1CN(C(=O)Nc2nnc(C(F)(F)F)s2)CC1N(C)C
InChIInChI=1S/C11H16F3N5OS2/c1-18(2)6-4-19(5-7(6)21-3)10(20)15-9-17-16-8(22-9)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,17,20)
InChIKeyYWGMZYKFXMOBOL-UHFFFAOYSA-N
XLogP2.07
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-methylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-4-methylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide (CID 75449722) is 3-(dimethylamino)-4-methylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-4-methylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-4-methylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide is CSC1CN(C(=O)Nc2nnc(C(F)(F)F)s2)CC1N(C)C.
What is the InChIKey of 3-(dimethylamino)-4-methylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is YWGMZYKFXMOBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5OS2/c1-18(2)6-4-19(5-7(6)21-3)10(20)15-9-17-16-8(22-9)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,17,20).
What are the key properties of 3-(dimethylamino)-4-methylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide?
3-(dimethylamino)-4-methylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-methylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 75449722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).