5-(dithiolan-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide

C11H14F3N3OS3 — CID 55636834

IUPAC5-(dithiolan-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESO=C(CCCCC1CCSS1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H14F3N3OS3/c12-11(13,14)9-16-17-10(20-9)15-8(18)4-2-1-3-7-5-6-19-21-7/h7H,1-6H2,(H,15,17,18)
InChIKeyFYTBOSLIJZPGQC-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.21
Rot. Bonds6

About 5-(dithiolan-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide

5-(dithiolan-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide (PubChem CID 55636834) has the molecular formula C11H14F3N3OS3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 5-(dithiolan-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide.

Molecular Properties

Compound Name5-(dithiolan-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide
PubChem CID55636834
Molecular FormulaC11H14F3N3OS3
Molecular Weight357.45 g/mol
Exact Mass357.03
IUPAC Name5-(dithiolan-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESO=C(CCCCC1CCSS1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H14F3N3OS3/c12-11(13,14)9-16-17-10(20-9)15-8(18)4-2-1-3-7-5-6-19-21-7/h7H,1-6H2,(H,15,17,18)
InChIKeyFYTBOSLIJZPGQC-UHFFFAOYSA-N
XLogP4.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 52569880
N-cyclopropyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 943075
5-(dithiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 24645329
N-(1,3-benzothiazol-2-yl)-5-(dithiolan-3-yl)pentanamide
CID 24644798
N-cyclopentyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 940931
methyl 5-oxo-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanoate
CID 126796489
N-cyclooctyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 4977394
3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279556
5-(dithiolan-3-yl)-N-iodopentanamide
CID 90260241
4-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2175175
5-(dithiolan-3-yl)-N-[4-(propanoylamino)phenyl]pentanamide
CID 55847390
5-[(3R)-dithiolan-3-yl]-N-(1H-1,2,4-triazol-5-yl)pentanamide
CID 30864279

Frequently Asked Questions

What is the IUPAC name of 5-(dithiolan-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The IUPAC name of 5-(dithiolan-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide (CID 55636834) is 5-(dithiolan-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide.
What is the SMILES notation for 5-(dithiolan-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The canonical SMILES for 5-(dithiolan-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide is O=C(CCCCC1CCSS1)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 5-(dithiolan-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The InChIKey is FYTBOSLIJZPGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS3/c12-11(13,14)9-16-17-10(20-9)15-8(18)4-2-1-3-7-5-6-19-21-7/h7H,1-6H2,(H,15,17,18).
What are the key properties of 5-(dithiolan-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide?
5-(dithiolan-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide has a molecular weight of 357.45 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dithiolan-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide is sourced from PubChem (CID 55636834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).