(2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol

C13H18N4O2S — CID 97009062

IUPAC(2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol
SMILESCSC[C@](C)(O)CNc1ncccc1-c1nc(C)no1
InChIInChI=1S/C13H18N4O2S/c1-9-16-12(19-17-9)10-5-4-6-14-11(10)15-7-13(2,18)8-20-3/h4-6,18H,7-8H2,1-3H3,(H,14,15)/t13-/m1/s1
InChIKeyMHTIXAHFNUVXFA-CYBMUJFWSA-N
MW294.38 g/mol
LogP1.97
Rot. Bonds6

About (2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol

(2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol (PubChem CID 97009062) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is (2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name(2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol
PubChem CID97009062
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name(2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol
SMILESCSC[C@](C)(O)CNc1ncccc1-c1nc(C)no1
InChIInChI=1S/C13H18N4O2S/c1-9-16-12(19-17-9)10-5-4-6-14-11(10)15-7-13(2,18)8-20-3/h4-6,18H,7-8H2,1-3H3,(H,14,15)/t13-/m1/s1
InChIKeyMHTIXAHFNUVXFA-CYBMUJFWSA-N
XLogP1.97
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(3S,4S)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol
CID 118264112
N-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
CID 25282110
((2S)-1-{5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}-2-pyrrolidinyl)methanol
CID 25455986
(1-{5-[3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}-2-piperidinyl)methanol
CID 45183809
5-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyridin-2(1H)-one
CID 136013911
(3R,4R)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol
CID 118263700
[4-(Cyclopentylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol
CID 118263751
N-cyclopentyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 118263883
(3R,4S)-N-cyclopentyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 129252257
1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine
CID 129252279
N-cyclohexyl-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 129252281
(2S)-2-{[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino}-4-(methylthio)-1-butanol
CID 25283600

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol?
The IUPAC name of (2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol (CID 97009062) is (2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for (2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol?
The canonical SMILES for (2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol is CSC[C@](C)(O)CNc1ncccc1-c1nc(C)no1.
What is the InChIKey of (2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol?
The InChIKey is MHTIXAHFNUVXFA-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-9-16-12(19-17-9)10-5-4-6-14-11(10)15-7-13(2,18)8-20-3/h4-6,18H,7-8H2,1-3H3,(H,14,15)/t13-/m1/s1.
What are the key properties of (2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol?
(2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol has a molecular weight of 294.38 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 97009062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).