3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide

C14H18N4OS — CID 119679154

IUPAC3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCCc1nnc(NC(=O)c2cccc(N)c2)s1
InChIInChI=1S/C14H18N4OS/c1-2-3-4-8-12-17-18-14(20-12)16-13(19)10-6-5-7-11(15)9-10/h5-7,9H,2-4,8,15H2,1H3,(H,16,18,19)
InChIKeyFEEAUWJNGXHNCD-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.11
Rot. Bonds6

About 3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide

3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 119679154) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID119679154
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCCc1nnc(NC(=O)c2cccc(N)c2)s1
InChIInChI=1S/C14H18N4OS/c1-2-3-4-8-12-17-18-14(20-12)16-13(19)10-6-5-7-11(15)9-10/h5-7,9H,2-4,8,15H2,1H3,(H,16,18,19)
InChIKeyFEEAUWJNGXHNCD-UHFFFAOYSA-N
XLogP3.11
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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
3-(diethylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8839583
3-(methylsulfinylmethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551033
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
3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551224
9-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)fluorene-2-carboxamide
CID 24617419
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 5024814
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17421339

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide (CID 119679154) is 3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide is CCCCCc1nnc(NC(=O)c2cccc(N)c2)s1.
What is the InChIKey of 3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is FEEAUWJNGXHNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-2-3-4-8-12-17-18-14(20-12)16-13(19)10-6-5-7-11(15)9-10/h5-7,9H,2-4,8,15H2,1H3,(H,16,18,19).
What are the key properties of 3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 290.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 119679154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).