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

C9H17N3OS — CID 133434574

IUPAC(2R)-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol
SMILESCCCc1nnc(N[C@H](CC)CO)s1
InChIInChI=1S/C9H17N3OS/c1-3-5-8-11-12-9(14-8)10-7(4-2)6-13/h7,13H,3-6H2,1-2H3,(H,10,12)/t7-/m1/s1
InChIKeyZKOOEWAEVLTQAH-SSDOTTSWSA-N
MW215.32 g/mol
LogP1.67
Rot. Bonds6

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

(2R)-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol (PubChem CID 133434574) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is (2R)-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol
PubChem CID133434574
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name(2R)-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol
SMILESCCCc1nnc(N[C@H](CC)CO)s1
InChIInChI=1S/C9H17N3OS/c1-3-5-8-11-12-9(14-8)10-7(4-2)6-13/h7,13H,3-6H2,1-2H3,(H,10,12)/t7-/m1/s1
InChIKeyZKOOEWAEVLTQAH-SSDOTTSWSA-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 (2R)-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol?
The IUPAC name of (2R)-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol (CID 133434574) is (2R)-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol?
The canonical SMILES for (2R)-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol is CCCc1nnc(N[C@H](CC)CO)s1.
What is the InChIKey of (2R)-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol?
The InChIKey is ZKOOEWAEVLTQAH-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-3-5-8-11-12-9(14-8)10-7(4-2)6-13/h7,13H,3-6H2,1-2H3,(H,10,12)/t7-/m1/s1.
What are the key properties of (2R)-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol?
(2R)-2-[(5-propyl-1,3,4-thiadiazol-2-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 (2R)-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol is sourced from PubChem (CID 133434574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).