2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide

C10H12F3N3OS2 — CID 71983640

IUPAC2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Sc1nnc(C2CC2)s1)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H12F3N3OS2/c1-5(7(17)14-4-10(11,12)13)18-9-16-15-8(19-9)6-2-3-6/h5-6H,2-4H2,1H3,(H,14,17)
InChIKeySWNDVMUAVCXUGP-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.57
Rot. Bonds5

About 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide

2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 71983640) has the molecular formula C10H12F3N3OS2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID71983640
Molecular FormulaC10H12F3N3OS2
Molecular Weight311.35 g/mol
Exact Mass311.04
IUPAC Name2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Sc1nnc(C2CC2)s1)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H12F3N3OS2/c1-5(7(17)14-4-10(11,12)13)18-9-16-15-8(19-9)6-2-3-6/h5-6H,2-4H2,1H3,(H,14,17)
InChIKeySWNDVMUAVCXUGP-UHFFFAOYSA-N
XLogP2.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide (CID 71983640) is 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide is CC(Sc1nnc(C2CC2)s1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is SWNDVMUAVCXUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS2/c1-5(7(17)14-4-10(11,12)13)18-9-16-15-8(19-9)6-2-3-6/h5-6H,2-4H2,1H3,(H,14,17).
What are the key properties of 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 311.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 71983640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).