(2S)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-4-methylsulfanylbutan-1-ol

C15H20N4O2S — CID 25283600

IUPAC(2S)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-4-methylsulfanylbutan-1-ol
SMILESCSCC[C@@H](CO)Nc1ccc(-c2nc(C3CC3)no2)cn1
InChIInChI=1S/C15H20N4O2S/c1-22-7-6-12(9-20)17-13-5-4-11(8-16-13)15-18-14(19-21-15)10-2-3-10/h4-5,8,10,12,20H,2-3,6-7,9H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyZABXHVGDVFSOEL-LBPRGKRZSA-N
MW320.42 g/mol
LogP2.53
Rot. Bonds8

About (2S)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-4-methylsulfanylbutan-1-ol

(2S)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-4-methylsulfanylbutan-1-ol (PubChem CID 25283600) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is (2S)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-4-methylsulfanylbutan-1-ol
PubChem CID25283600
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name(2S)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-4-methylsulfanylbutan-1-ol
SMILESCSCC[C@@H](CO)Nc1ccc(-c2nc(C3CC3)no2)cn1
InChIInChI=1S/C15H20N4O2S/c1-22-7-6-12(9-20)17-13-5-4-11(8-16-13)15-18-14(19-21-15)10-2-3-10/h4-5,8,10,12,20H,2-3,6-7,9H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyZABXHVGDVFSOEL-LBPRGKRZSA-N
XLogP2.53
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-4-methylsulfanylbutan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-4-methylsulfanylbutan-1-ol?
The IUPAC name of (2S)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-4-methylsulfanylbutan-1-ol (CID 25283600) is (2S)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for (2S)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-4-methylsulfanylbutan-1-ol?
The canonical SMILES for (2S)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-4-methylsulfanylbutan-1-ol is CSCC[C@@H](CO)Nc1ccc(-c2nc(C3CC3)no2)cn1.
What is the InChIKey of (2S)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-4-methylsulfanylbutan-1-ol?
The InChIKey is ZABXHVGDVFSOEL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-22-7-6-12(9-20)17-13-5-4-11(8-16-13)15-18-14(19-21-15)10-2-3-10/h4-5,8,10,12,20H,2-3,6-7,9H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-4-methylsulfanylbutan-1-ol?
(2S)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-4-methylsulfanylbutan-1-ol has a molecular weight of 320.42 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 25283600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).