4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione

C10H14N4O4S2 — CID 66073870

IUPAC4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCc1nc(N)sc1S(=O)(=O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C10H14N4O4S2/c1-5-7(19-9(11)12-5)20(17,18)14-4-6(15)13-8(16)10(14,2)3/h4H2,1-3H3,(H2,11,12)(H,13,15,16)
InChIKeyNQCOJELYPODEKH-UHFFFAOYSA-N
MW318.38 g/mol
LogP-0.54
Rot. Bonds2

About 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione

4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66073870) has the molecular formula C10H14N4O4S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione
PubChem CID66073870
Molecular FormulaC10H14N4O4S2
Molecular Weight318.38 g/mol
Exact Mass318.05
IUPAC Name4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCc1nc(N)sc1S(=O)(=O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C10H14N4O4S2/c1-5-7(19-9(11)12-5)20(17,18)14-4-6(15)13-8(16)10(14,2)3/h4H2,1-3H3,(H2,11,12)(H,13,15,16)
InChIKeyNQCOJELYPODEKH-UHFFFAOYSA-N
XLogP-0.54
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione (CID 66073870) is 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione is Cc1nc(N)sc1S(=O)(=O)N1CC(=O)NC(=O)C1(C)C.
What is the InChIKey of 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is NQCOJELYPODEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4S2/c1-5-7(19-9(11)12-5)20(17,18)14-4-6(15)13-8(16)10(14,2)3/h4H2,1-3H3,(H2,11,12)(H,13,15,16).
What are the key properties of 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione?
4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 318.38 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66073870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).