4,4,4-trifluoro-3-(1-methylimidazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide

C10H10F3N5OS — CID 154836279

IUPAC4,4,4-trifluoro-3-(1-methylimidazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCn1ccnc1C(CC(=O)Nc1nncs1)C(F)(F)F
InChIInChI=1S/C10H10F3N5OS/c1-18-3-2-14-8(18)6(10(11,12)13)4-7(19)16-9-17-15-5-20-9/h2-3,5-6H,4H2,1H3,(H,16,17,19)
InChIKeyWIEGESSUEDYVMC-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.95
Rot. Bonds4

About 4,4,4-trifluoro-3-(1-methylimidazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide

4,4,4-trifluoro-3-(1-methylimidazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 154836279) has the molecular formula C10H10F3N5OS and a molecular weight of 305.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(1-methylimidazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(1-methylimidazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide
PubChem CID154836279
Molecular FormulaC10H10F3N5OS
Molecular Weight305.29 g/mol
Exact Mass305.06
IUPAC Name4,4,4-trifluoro-3-(1-methylimidazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCn1ccnc1C(CC(=O)Nc1nncs1)C(F)(F)F
InChIInChI=1S/C10H10F3N5OS/c1-18-3-2-14-8(18)6(10(11,12)13)4-7(19)16-9-17-15-5-20-9/h2-3,5-6H,4H2,1H3,(H,16,17,19)
InChIKeyWIEGESSUEDYVMC-UHFFFAOYSA-N
XLogP1.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(1-methylimidazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-(1-methylimidazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide (CID 154836279) is 4,4,4-trifluoro-3-(1-methylimidazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-(1-methylimidazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-(1-methylimidazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide is Cn1ccnc1C(CC(=O)Nc1nncs1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(1-methylimidazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is WIEGESSUEDYVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5OS/c1-18-3-2-14-8(18)6(10(11,12)13)4-7(19)16-9-17-15-5-20-9/h2-3,5-6H,4H2,1H3,(H,16,17,19).
What are the key properties of 4,4,4-trifluoro-3-(1-methylimidazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide?
4,4,4-trifluoro-3-(1-methylimidazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 305.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(1-methylimidazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 154836279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).