3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol

C7H13N3OS — CID 65271148

IUPAC3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
SMILESCCc1nsc(NCCCO)n1
InChIInChI=1S/C7H13N3OS/c1-2-6-9-7(12-10-6)8-4-3-5-11/h11H,2-5H2,1H3,(H,8,9,10)
InChIKeyFBCLEDHVMSXPSA-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.89
Rot. Bonds5

About 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol

3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol (PubChem CID 65271148) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
PubChem CID65271148
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
SMILESCCc1nsc(NCCCO)n1
InChIInChI=1S/C7H13N3OS/c1-2-6-9-7(12-10-6)8-4-3-5-11/h11H,2-5H2,1H3,(H,8,9,10)
InChIKeyFBCLEDHVMSXPSA-UHFFFAOYSA-N
XLogP0.89
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(2-Methylpropyl)-1,2,4-thiadiazol-5-yl]amino]but-2-yn-1-ol
CID 132300947
N-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103151215
3-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-1,2,4-thiadiazol-5-amine
CID 103151216
3-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-1,2,4-thiadiazol-5-amine
CID 103151217
1,1,1-Trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103702775
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103736426
1,1-Difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103894632
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 103894639
2,2-Difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
CID 104858477
2,2-Difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
CID 104858511
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol
CID 104858586
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol
CID 104858587

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
The IUPAC name of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol (CID 65271148) is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol is CCc1nsc(NCCCO)n1.
What is the InChIKey of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
The InChIKey is FBCLEDHVMSXPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-2-6-9-7(12-10-6)8-4-3-5-11/h11H,2-5H2,1H3,(H,8,9,10).
What are the key properties of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol has a molecular weight of 187.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol is sourced from PubChem (CID 65271148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).