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

C13H23N3O2S — CID 2207802

IUPACpentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate
SMILESCCCCCOC(=O)Nc1nnc(CCCCC)s1
InChIInChI=1S/C13H23N3O2S/c1-3-5-7-9-11-15-16-12(19-11)14-13(17)18-10-8-6-4-2/h3-10H2,1-2H3,(H,14,16,17)
InChIKeyMRNPJDJHYLFSFP-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.01
Rot. Bonds9

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

pentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate (PubChem CID 2207802) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is pentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate.

Molecular Properties

Compound Namepentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate
PubChem CID2207802
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Namepentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate
SMILESCCCCCOC(=O)Nc1nnc(CCCCC)s1
InChIInChI=1S/C13H23N3O2S/c1-3-5-7-9-11-15-16-12(19-11)14-13(17)18-10-8-6-4-2/h3-10H2,1-2H3,(H,14,16,17)
InChIKeyMRNPJDJHYLFSFP-UHFFFAOYSA-N
XLogP4.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.01
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

ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate
CID 121088928
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
(E)-N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide
CID 6435707
ethyl N-[5-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]carbamate
CID 74982527
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 132962669
2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride
CID 119678026
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide
CID 35865392
tert-butyl N-[(2R)-1-oxo-1-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]carbamate
CID 47082039
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
2,4,5-trimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8933648

Frequently Asked Questions

What is the IUPAC name of pentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate?
The IUPAC name of pentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate (CID 2207802) is pentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate.
What is the SMILES notation for pentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate?
The canonical SMILES for pentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate is CCCCCOC(=O)Nc1nnc(CCCCC)s1.
What is the InChIKey of pentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate?
The InChIKey is MRNPJDJHYLFSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-3-5-7-9-11-15-16-12(19-11)14-13(17)18-10-8-6-4-2/h3-10H2,1-2H3,(H,14,16,17).
What are the key properties of pentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate?
pentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate has a molecular weight of 285.41 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate is sourced from PubChem (CID 2207802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).