(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide

C14H20N6O2S — CID 96522187

IUPAC(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide
SMILESCc1cc(NC(=O)[C@H](C)N2CCN(c3nc(C)ns3)CC2)on1
InChIInChI=1S/C14H20N6O2S/c1-9-8-12(22-17-9)16-13(21)10(2)19-4-6-20(7-5-19)14-15-11(3)18-23-14/h8,10H,4-7H2,1-3H3,(H,16,21)/t10-/m0/s1
InChIKeyJJKOQGGUYGPRFA-JTQLQIEISA-N
MW336.42 g/mol
LogP1.29
Rot. Bonds4

About (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide

(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide (PubChem CID 96522187) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide
PubChem CID96522187
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC Name(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide
SMILESCc1cc(NC(=O)[C@H](C)N2CCN(c3nc(C)ns3)CC2)on1
InChIInChI=1S/C14H20N6O2S/c1-9-8-12(22-17-9)16-13(21)10(2)19-4-6-20(7-5-19)14-15-11(3)18-23-14/h8,10H,4-7H2,1-3H3,(H,16,21)/t10-/m0/s1
InChIKeyJJKOQGGUYGPRFA-JTQLQIEISA-N
XLogP1.29
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide
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2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide (CID 96522187) is (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide is Cc1cc(NC(=O)[C@H](C)N2CCN(c3nc(C)ns3)CC2)on1.
What is the InChIKey of (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide?
The InChIKey is JJKOQGGUYGPRFA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-9-8-12(22-17-9)16-13(21)10(2)19-4-6-20(7-5-19)14-15-11(3)18-23-14/h8,10H,4-7H2,1-3H3,(H,16,21)/t10-/m0/s1.
What are the key properties of (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide?
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide has a molecular weight of 336.42 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 96522187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).