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

C10H19N3OS — CID 79247194

IUPAC(2S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
SMILESCCCc1nsc(N[C@H](CO)C(C)C)n1
InChIInChI=1S/C10H19N3OS/c1-4-5-9-12-10(15-13-9)11-8(6-14)7(2)3/h7-8,14H,4-6H2,1-3H3,(H,11,12,13)/t8-/m1/s1
InChIKeyJJSFKNWRJLBARU-MRVPVSSYSA-N
MW229.35 g/mol
LogP1.92
Rot. Bonds6

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

(2S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol (PubChem CID 79247194) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
PubChem CID79247194
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name(2S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
SMILESCCCc1nsc(N[C@H](CO)C(C)C)n1
InChIInChI=1S/C10H19N3OS/c1-4-5-9-12-10(15-13-9)11-8(6-14)7(2)3/h7-8,14H,4-6H2,1-3H3,(H,11,12,13)/t8-/m1/s1
InChIKeyJJSFKNWRJLBARU-MRVPVSSYSA-N
XLogP1.92
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol (CID 79247194) is (2S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol is CCCc1nsc(N[C@H](CO)C(C)C)n1.
What is the InChIKey of (2S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
The InChIKey is JJSFKNWRJLBARU-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-4-5-9-12-10(15-13-9)11-8(6-14)7(2)3/h7-8,14H,4-6H2,1-3H3,(H,11,12,13)/t8-/m1/s1.
What are the key properties of (2S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
(2S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol has a molecular weight of 229.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol is sourced from PubChem (CID 79247194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).