butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide

C19H28FN3OS — CID 169248406

IUPACbutane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCC.CCCCCCc1nnc(NC(=O)c2cccc(F)c2)s1
InChIInChI=1S/C15H18FN3OS.C4H10/c1-2-3-4-5-9-13-18-19-15(21-13)17-14(20)11-7-6-8-12(16)10-11;1-3-4-2/h6-8,10H,2-5,9H2,1H3,(H,17,19,20);3-4H2,1-2H3
InChIKeyBMEXCQQMQIRMKR-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.86
Rot. Bonds8

About butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide

butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 169248406) has the molecular formula C19H28FN3OS and a molecular weight of 365.52 g/mol. Its IUPAC name is butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Namebutane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID169248406
Molecular FormulaC19H28FN3OS
Molecular Weight365.52 g/mol
Exact Mass365.19
IUPAC Namebutane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCC.CCCCCCc1nnc(NC(=O)c2cccc(F)c2)s1
InChIInChI=1S/C15H18FN3OS.C4H10/c1-2-3-4-5-9-13-18-19-15(21-13)17-14(20)11-7-6-8-12(16)10-11;1-3-4-2/h6-8,10H,2-5,9H2,1H3,(H,17,19,20);3-4H2,1-2H3
InChIKeyBMEXCQQMQIRMKR-UHFFFAOYSA-N
XLogP5.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
CID 7747528
N-[5-(3-chloropropyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide
CID 82058053
3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 119679154
3-(methylsulfinylmethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551033
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide
CID 769224
3-(diethylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8839583
3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551224
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide
CID 26197121
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide
CID 108801746
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide
CID 26209796
3-(butylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17226832
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17421339

Frequently Asked Questions

What is the IUPAC name of butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide (CID 169248406) is butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide is CCCC.CCCCCCc1nnc(NC(=O)c2cccc(F)c2)s1.
What is the InChIKey of butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is BMEXCQQMQIRMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS.C4H10/c1-2-3-4-5-9-13-18-19-15(21-13)17-14(20)11-7-6-8-12(16)10-11;1-3-4-2/h6-8,10H,2-5,9H2,1H3,(H,17,19,20);3-4H2,1-2H3.
What are the key properties of butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide?
butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 365.52 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 169248406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).