3-[1-(5-methylpyrazine-2-carbonyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione

C12H12N4O3S — CID 121155208

IUPAC3-[1-(5-methylpyrazine-2-carbonyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESCc1cnc(C(=O)N2CC(N3C(=O)CSC3=O)C2)cn1
InChIInChI=1S/C12H12N4O3S/c1-7-2-14-9(3-13-7)11(18)15-4-8(5-15)16-10(17)6-20-12(16)19/h2-3,8H,4-6H2,1H3
InChIKeyBVYWMFQCRHXXTA-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.30
Rot. Bonds2

About 3-[1-(5-methylpyrazine-2-carbonyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione

3-[1-(5-methylpyrazine-2-carbonyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 121155208) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 3-[1-(5-methylpyrazine-2-carbonyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(5-methylpyrazine-2-carbonyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione
PubChem CID121155208
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name3-[1-(5-methylpyrazine-2-carbonyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESCc1cnc(C(=O)N2CC(N3C(=O)CSC3=O)C2)cn1
InChIInChI=1S/C12H12N4O3S/c1-7-2-14-9(3-13-7)11(18)15-4-8(5-15)16-10(17)6-20-12(16)19/h2-3,8H,4-6H2,1H3
InChIKeyBVYWMFQCRHXXTA-UHFFFAOYSA-N
XLogP0.30
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42910146
(3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride
CID 119564341
[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(5-methylpyrazin-2-yl)methanone
CID 155911027
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 121153523
[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-(5-methylpyrazin-2-yl)methanone
CID 97377160
(5-methylpyrazin-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 86284339
3-[1-[2-(4-methoxyphenyl)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155037
3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methoxyphenyl)azetidine-1-carboxamide
CID 121155297
(2S,3aS,6aS)-1-acetyl-N-methyl-5-(5-methylpyrazine-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 124799770
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95354154
methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 78919443
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 86265737

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methylpyrazine-2-carbonyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[1-(5-methylpyrazine-2-carbonyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione (CID 121155208) is 3-[1-(5-methylpyrazine-2-carbonyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(5-methylpyrazine-2-carbonyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[1-(5-methylpyrazine-2-carbonyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione is Cc1cnc(C(=O)N2CC(N3C(=O)CSC3=O)C2)cn1.
What is the InChIKey of 3-[1-(5-methylpyrazine-2-carbonyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is BVYWMFQCRHXXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-7-2-14-9(3-13-7)11(18)15-4-8(5-15)16-10(17)6-20-12(16)19/h2-3,8H,4-6H2,1H3.
What are the key properties of 3-[1-(5-methylpyrazine-2-carbonyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
3-[1-(5-methylpyrazine-2-carbonyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 292.32 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methylpyrazine-2-carbonyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 121155208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).