5-(4-chlorophenyl)-N-(3-ethoxypropyl)thiadiazole-4-carboxamide

C14H16ClN3O2S — CID 71689865

IUPAC5-(4-chlorophenyl)-N-(3-ethoxypropyl)thiadiazole-4-carboxamide
SMILESCCOCCCNC(=O)c1nnsc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O2S/c1-2-20-9-3-8-16-14(19)12-13(21-18-17-12)10-4-6-11(15)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,16,19)
InChIKeyAMTJDAAGLGBZGI-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.01
Rot. Bonds7

About 5-(4-chlorophenyl)-N-(3-ethoxypropyl)thiadiazole-4-carboxamide

5-(4-chlorophenyl)-N-(3-ethoxypropyl)thiadiazole-4-carboxamide (PubChem CID 71689865) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(3-ethoxypropyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(3-ethoxypropyl)thiadiazole-4-carboxamide
PubChem CID71689865
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name5-(4-chlorophenyl)-N-(3-ethoxypropyl)thiadiazole-4-carboxamide
SMILESCCOCCCNC(=O)c1nnsc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O2S/c1-2-20-9-3-8-16-14(19)12-13(21-18-17-12)10-4-6-11(15)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,16,19)
InChIKeyAMTJDAAGLGBZGI-UHFFFAOYSA-N
XLogP3.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.01
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

N-(3-hydroxypropyl)-5-(4-methylphenyl)thiadiazole-4-carboxamide
CID 71688702
2-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24512647
4-(4-chlorophenyl)-N-(3-methoxypropyl)thiadiazole-5-carboxamide
CID 100747676
N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide
CID 125144861
4-chloro-N-[2-[[N-(3-ethoxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111222904
1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide
CID 50772943
N-[3-(dimethylamino)propyl]-5-phenylthiadiazole-4-carboxamide
CID 71688668
N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide
CID 21369940
5-(4-methylphenyl)-N-(2-phenylethyl)thiadiazole-4-carboxamide
CID 56731044
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide
CID 51253386
2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide
CID 43090785
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-ethoxypropyl)acetamide
CID 51140655

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(3-ethoxypropyl)thiadiazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(3-ethoxypropyl)thiadiazole-4-carboxamide (CID 71689865) is 5-(4-chlorophenyl)-N-(3-ethoxypropyl)thiadiazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(3-ethoxypropyl)thiadiazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(3-ethoxypropyl)thiadiazole-4-carboxamide is CCOCCCNC(=O)c1nnsc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(3-ethoxypropyl)thiadiazole-4-carboxamide?
The InChIKey is AMTJDAAGLGBZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-2-20-9-3-8-16-14(19)12-13(21-18-17-12)10-4-6-11(15)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,16,19).
What are the key properties of 5-(4-chlorophenyl)-N-(3-ethoxypropyl)thiadiazole-4-carboxamide?
5-(4-chlorophenyl)-N-(3-ethoxypropyl)thiadiazole-4-carboxamide has a molecular weight of 325.82 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(3-ethoxypropyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 71689865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).