4-(3-fluorophenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide

C19H24FN3O2S — CID 60582634

IUPAC4-(3-fluorophenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide
SMILESCCCCCc1nnc(NC(=O)C2(c3cccc(F)c3)CCOCC2)s1
InChIInChI=1S/C19H24FN3O2S/c1-2-3-4-8-16-22-23-18(26-16)21-17(24)19(9-11-25-12-10-19)14-6-5-7-15(20)13-14/h5-7,13H,2-4,8-12H2,1H3,(H,21,23,24)
InChIKeyCJSUTIPNWCPCFU-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.10
Rot. Bonds7

About 4-(3-fluorophenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide

4-(3-fluorophenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide (PubChem CID 60582634) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide
PubChem CID60582634
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name4-(3-fluorophenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide
SMILESCCCCCc1nnc(NC(=O)C2(c3cccc(F)c3)CCOCC2)s1
InChIInChI=1S/C19H24FN3O2S/c1-2-3-4-8-16-22-23-18(26-16)21-17(24)19(9-11-25-12-10-19)14-6-5-7-15(20)13-14/h5-7,13H,2-4,8-12H2,1H3,(H,21,23,24)
InChIKeyCJSUTIPNWCPCFU-UHFFFAOYSA-N
XLogP4.10
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
CID 169248406
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
CID 7747528
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-phenyloxane-4-carboxamide
CID 56829316
4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide
CID 56807132
2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 18198071
3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 119679154
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 60582417
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(3-chlorophenyl)oxane-4-carboxamide
CID 55997181
4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60582725
N-[5-(3-chloropropyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide
CID 82058053
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide (CID 60582634) is 4-(3-fluorophenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide is CCCCCc1nnc(NC(=O)C2(c3cccc(F)c3)CCOCC2)s1.
What is the InChIKey of 4-(3-fluorophenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide?
The InChIKey is CJSUTIPNWCPCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-2-3-4-8-16-22-23-18(26-16)21-17(24)19(9-11-25-12-10-19)14-6-5-7-15(20)13-14/h5-7,13H,2-4,8-12H2,1H3,(H,21,23,24).
What are the key properties of 4-(3-fluorophenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide?
4-(3-fluorophenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 60582634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).