N-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide

C7H10N4O4S2 — CID 142271420

IUPACN-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide
SMILESCC(=O)/N=c1\sc(S(=O)(=O)NC(C)=O)nn1C
InChIInChI=1S/C7H10N4O4S2/c1-4(12)8-6-11(3)9-7(16-6)17(14,15)10-5(2)13/h1-3H3,(H,10,13)/b8-6-
InChIKeyVXRXDTDBALOMAX-VURMDHGXSA-N
MW278.32 g/mol
LogP-1.25
Rot. Bonds2

About N-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide

N-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide (PubChem CID 142271420) has the molecular formula C7H10N4O4S2 and a molecular weight of 278.32 g/mol. Its IUPAC name is N-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide.

Molecular Properties

Compound NameN-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide
PubChem CID142271420
Molecular FormulaC7H10N4O4S2
Molecular Weight278.32 g/mol
Exact Mass278.01
IUPAC NameN-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide
SMILESCC(=O)/N=c1\sc(S(=O)(=O)NC(C)=O)nn1C
InChIInChI=1S/C7H10N4O4S2/c1-4(12)8-6-11(3)9-7(16-6)17(14,15)10-5(2)13/h1-3H3,(H,10,13)/b8-6-
InChIKeyVXRXDTDBALOMAX-VURMDHGXSA-N
XLogP-1.25
TPSA110.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide?
The IUPAC name of N-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide (CID 142271420) is N-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide.
What is the SMILES notation for N-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide?
The canonical SMILES for N-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide is CC(=O)/N=c1\sc(S(=O)(=O)NC(C)=O)nn1C.
What is the InChIKey of N-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide?
The InChIKey is VXRXDTDBALOMAX-VURMDHGXSA-N. The full InChI is InChI=1S/C7H10N4O4S2/c1-4(12)8-6-11(3)9-7(16-6)17(14,15)10-5(2)13/h1-3H3,(H,10,13)/b8-6-.
What are the key properties of N-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide?
N-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide has a molecular weight of 278.32 g/mol, XLogP of -1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide is sourced from PubChem (CID 142271420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).