2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol

C9H17N3OS — CID 65270984

IUPAC2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
SMILESCCCc1nsc(NC(CC)CO)n1
InChIInChI=1S/C9H17N3OS/c1-3-5-8-11-9(14-12-8)10-7(4-2)6-13/h7,13H,3-6H2,1-2H3,(H,10,11,12)
InChIKeyZUVYLBNHQQUHAW-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.67
Rot. Bonds6

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

2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol (PubChem CID 65270984) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
PubChem CID65270984
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
SMILESCCCc1nsc(NC(CC)CO)n1
InChIInChI=1S/C9H17N3OS/c1-3-5-8-11-9(14-12-8)10-7(4-2)6-13/h7,13H,3-6H2,1-2H3,(H,10,11,12)
InChIKeyZUVYLBNHQQUHAW-UHFFFAOYSA-N
XLogP1.67
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
The IUPAC name of 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol (CID 65270984) is 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol is CCCc1nsc(NC(CC)CO)n1.
What is the InChIKey of 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
The InChIKey is ZUVYLBNHQQUHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-3-5-8-11-9(14-12-8)10-7(4-2)6-13/h7,13H,3-6H2,1-2H3,(H,10,11,12).
What are the key properties of 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol has a molecular weight of 215.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol is sourced from PubChem (CID 65270984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).