N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide

C11H20N4O2S — CID 80617528

IUPACN-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCCOCCNC(=O)c1nnc(NCC)s1
InChIInChI=1S/C11H20N4O2S/c1-3-5-7-17-8-6-13-9(16)10-14-15-11(18-10)12-4-2/h3-8H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyRHPQZKHNPWTKFQ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.52
Rot. Bonds9

About N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide

N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617528) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617528
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCCOCCNC(=O)c1nnc(NCC)s1
InChIInChI=1S/C11H20N4O2S/c1-3-5-7-17-8-6-13-9(16)10-14-15-11(18-10)12-4-2/h3-8H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyRHPQZKHNPWTKFQ-UHFFFAOYSA-N
XLogP1.52
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617199
N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616090
5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide
CID 115522177
5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616080
N-[2-(ethylamino)-2-oxoethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615555
N-[2-(tert-butylamino)-2-oxoethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 115357196
N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615896
5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80614957
5-amino-N-(3-propoxypropyl)-1,3,4-thiadiazole-2-carboxamide
CID 82947069
N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616910
N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615073
N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616887

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80617528) is N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is CCCCOCCNC(=O)c1nnc(NCC)s1.
What is the InChIKey of N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RHPQZKHNPWTKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-3-5-7-17-8-6-13-9(16)10-14-15-11(18-10)12-4-2/h3-8H2,1-2H3,(H,12,15)(H,13,16).
What are the key properties of N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).