N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide

C12H18N4O2S3 — CID 106089734

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)Nc2nnc(CC)s2)cs1
InChIInChI=1S/C12H18N4O2S3/c1-3-5-13-7-9-6-10(8-19-9)21(17,18)16-12-15-14-11(4-2)20-12/h6,8,13H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyAVGGKSXJEVMSNR-UHFFFAOYSA-N
MW346.50 g/mol
LogP2.46
Rot. Bonds8

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106089734) has the molecular formula C12H18N4O2S3 and a molecular weight of 346.50 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide
PubChem CID106089734
Molecular FormulaC12H18N4O2S3
Molecular Weight346.50 g/mol
Exact Mass346.06
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)Nc2nnc(CC)s2)cs1
InChIInChI=1S/C12H18N4O2S3/c1-3-5-13-7-9-6-10(8-19-9)21(17,18)16-12-15-14-11(4-2)20-12/h6,8,13H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyAVGGKSXJEVMSNR-UHFFFAOYSA-N
XLogP2.46
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-sulfonamide
CID 106262509
N-(3-bromo-4-pyridinyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106075951
4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25041652
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide
CID 3414696
N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106063271
5-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-3-sulfonamide
CID 106089796
N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide
CID 4165418
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 20983487
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106089797
5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide
CID 106072161
sodium;4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;hydride
CID 3083738
N-(2-bicyclo[2.2.1]heptanyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106067708

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide (CID 106089734) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide is CCCNCc1cc(S(=O)(=O)Nc2nnc(CC)s2)cs1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is AVGGKSXJEVMSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S3/c1-3-5-13-7-9-6-10(8-19-9)21(17,18)16-12-15-14-11(4-2)20-12/h6,8,13H,3-5,7H2,1-2H3,(H,15,16).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 346.50 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106089734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).