5-(2-hexoxypropanoylamino)-1,3,4-thiadiazole-2-carboxamide

C12H20N4O3S — CID 166394650

IUPAC5-(2-hexoxypropanoylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCCCCOC(C)C(=O)Nc1nnc(C(N)=O)s1
InChIInChI=1S/C12H20N4O3S/c1-3-4-5-6-7-19-8(2)10(18)14-12-16-15-11(20-12)9(13)17/h8H,3-7H2,1-2H3,(H2,13,17)(H,14,16,18)
InChIKeyVEUFPRIMVDXMNR-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.56
Rot. Bonds9

About 5-(2-hexoxypropanoylamino)-1,3,4-thiadiazole-2-carboxamide

5-(2-hexoxypropanoylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 166394650) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-(2-hexoxypropanoylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-hexoxypropanoylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID166394650
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name5-(2-hexoxypropanoylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCCCCOC(C)C(=O)Nc1nnc(C(N)=O)s1
InChIInChI=1S/C12H20N4O3S/c1-3-4-5-6-7-19-8(2)10(18)14-12-16-15-11(20-12)9(13)17/h8H,3-7H2,1-2H3,(H2,13,17)(H,14,16,18)
InChIKeyVEUFPRIMVDXMNR-UHFFFAOYSA-N
XLogP1.56
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.56
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

2-(2-ethoxyethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 47066278
2-pentoxypropanamide
CID 62900296
methyl (2S)-2-hexoxypropanoate
CID 103337819
methyl 2-dodecoxypropanoate
CID 86244254
ethyl 2-nonoxypropanoate
CID 88680880
(2S)-2-heptoxypropanoic acid
CID 22301798
N-(4-amino-2-methylphenyl)-2-heptoxypropanamide
CID 43127072
3-methyl-2-octoxybutanehydrazide
CID 55213016
5-[1-(butylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 68832852
2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride
CID 119678026
pentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate
CID 2207802
2-(4-methoxyphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
CID 46508754

Frequently Asked Questions

What is the IUPAC name of 5-(2-hexoxypropanoylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(2-hexoxypropanoylamino)-1,3,4-thiadiazole-2-carboxamide (CID 166394650) is 5-(2-hexoxypropanoylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-hexoxypropanoylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(2-hexoxypropanoylamino)-1,3,4-thiadiazole-2-carboxamide is CCCCCCOC(C)C(=O)Nc1nnc(C(N)=O)s1.
What is the InChIKey of 5-(2-hexoxypropanoylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is VEUFPRIMVDXMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-3-4-5-6-7-19-8(2)10(18)14-12-16-15-11(20-12)9(13)17/h8H,3-7H2,1-2H3,(H2,13,17)(H,14,16,18).
What are the key properties of 5-(2-hexoxypropanoylamino)-1,3,4-thiadiazole-2-carboxamide?
5-(2-hexoxypropanoylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hexoxypropanoylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 166394650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).