N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide

C12H10F3N3O2S — CID 2971363

IUPACN-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide
SMILESCC(Oc1cccc(C(F)(F)F)c1)C(=O)Nc1nncs1
InChIInChI=1S/C12H10F3N3O2S/c1-7(10(19)17-11-18-16-6-21-11)20-9-4-2-3-8(5-9)12(13,14)15/h2-7H,1H3,(H,17,18,19)
InChIKeyFTFAUSYAXXEPRR-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.96
Rot. Bonds4

About N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide

N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide (PubChem CID 2971363) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide
PubChem CID2971363
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC NameN-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide
SMILESCC(Oc1cccc(C(F)(F)F)c1)C(=O)Nc1nncs1
InChIInChI=1S/C12H10F3N3O2S/c1-7(10(19)17-11-18-16-6-21-11)20-9-4-2-3-8(5-9)12(13,14)15/h2-7H,1H3,(H,17,18,19)
InChIKeyFTFAUSYAXXEPRR-UHFFFAOYSA-N
XLogP2.96
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 1637640
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CID 4858653
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CID 649235
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CID 2225490
CID 2225490
CID 733458
CID 733458
CID 3155166
CID 3155166
CID 17218037
CID 17218037
CID 2930741
CID 2930741
CID 4217877
CID 4217877
CID 2045182
CID 2045182
CID 3151643
CID 3151643
CID 3372568
CID 3372568

Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide (CID 2971363) is N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide is CC(Oc1cccc(C(F)(F)F)c1)C(=O)Nc1nncs1.
What is the InChIKey of N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is FTFAUSYAXXEPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c1-7(10(19)17-11-18-16-6-21-11)20-9-4-2-3-8(5-9)12(13,14)15/h2-7H,1H3,(H,17,18,19).
What are the key properties of N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide?
N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 317.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 2971363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).