(2S)-2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide

C13H17N7OS — CID 124728108

IUPAC(2S)-2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESC[C@@H](C(=O)Nc1nncs1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H17N7OS/c1-10(12(21)17-13-18-16-9-22-13)19-4-6-20(7-5-19)11-8-14-2-3-15-11/h2-3,8-10H,4-7H2,1H3,(H,17,18,21)/t10-/m0/s1
InChIKeyJBOWBXQSTYNMEG-JTQLQIEISA-N
MW319.39 g/mol
LogP0.48
Rot. Bonds4

About (2S)-2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide

(2S)-2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 124728108) has the molecular formula C13H17N7OS and a molecular weight of 319.39 g/mol. Its IUPAC name is (2S)-2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID124728108
Molecular FormulaC13H17N7OS
Molecular Weight319.39 g/mol
Exact Mass319.12
IUPAC Name(2S)-2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESC[C@@H](C(=O)Nc1nncs1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H17N7OS/c1-10(12(21)17-13-18-16-9-22-13)19-4-6-20(7-5-19)11-8-14-2-3-15-11/h2-3,8-10H,4-7H2,1H3,(H,17,18,21)/t10-/m0/s1
InChIKeyJBOWBXQSTYNMEG-JTQLQIEISA-N
XLogP0.48
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-phenyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
CID 18167936
2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid
CID 62311866
(2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 124752672
(3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 37027060
N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 94119889
2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 50960716
N-(1,3-thiazol-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]propanamide
CID 91831881
2-[4-(3-hydroxyphenyl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 91835468
(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 35012489
(2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 93378573
2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide
CID 9459404
2-[4-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455507

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 124728108) is (2S)-2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide is C[C@@H](C(=O)Nc1nncs1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of (2S)-2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is JBOWBXQSTYNMEG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N7OS/c1-10(12(21)17-13-18-16-9-22-13)19-4-6-20(7-5-19)11-8-14-2-3-15-11/h2-3,8-10H,4-7H2,1H3,(H,17,18,21)/t10-/m0/s1.
What are the key properties of (2S)-2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
(2S)-2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 319.39 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 124728108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).