4-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiadiazole-5-carboxamide

C10H17N3O2S2 — CID 103800680

IUPAC4-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCSCCCO
InChIInChI=1S/C10H17N3O2S2/c1-2-8-9(17-13-12-8)10(15)11-4-7-16-6-3-5-14/h14H,2-7H2,1H3,(H,11,15)
InChIKeyHVMBLEXTTHNULT-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.95
Rot. Bonds8

About 4-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiadiazole-5-carboxamide

4-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiadiazole-5-carboxamide (PubChem CID 103800680) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiadiazole-5-carboxamide
PubChem CID103800680
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name4-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCSCCCO
InChIInChI=1S/C10H17N3O2S2/c1-2-8-9(17-13-12-8)10(15)11-4-7-16-6-3-5-14/h14H,2-7H2,1H3,(H,11,15)
InChIKeyHVMBLEXTTHNULT-UHFFFAOYSA-N
XLogP0.95
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.95
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

N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 114171221
4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 65210223
4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide
CID 65210280
N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide
CID 107843629
4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide
CID 24515338
5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid
CID 113440692
4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide
CID 24563625
propan-2-yl 3-[(4-ethylthiadiazole-5-carbonyl)amino]propanoate
CID 51256575
4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide
CID 34729675
3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206183
4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide
CID 120831305
3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-carboxamide
CID 106308533

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiadiazole-5-carboxamide (CID 103800680) is 4-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCCSCCCO.
What is the InChIKey of 4-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiadiazole-5-carboxamide?
The InChIKey is HVMBLEXTTHNULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-2-8-9(17-13-12-8)10(15)11-4-7-16-6-3-5-14/h14H,2-7H2,1H3,(H,11,15).
What are the key properties of 4-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiadiazole-5-carboxamide?
4-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiadiazole-5-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 103800680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).