2-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C9H13N3O3S2 — CID 4170492

IUPAC2-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CC2CCS(=O)(=O)C2)s1
InChIInChI=1S/C9H13N3O3S2/c1-6-11-12-9(16-6)10-8(13)4-7-2-3-17(14,15)5-7/h7H,2-5H2,1H3,(H,10,12,13)
InChIKeySSLYCRUBJXGSTF-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.61
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 4170492) has the molecular formula C9H13N3O3S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID4170492
Molecular FormulaC9H13N3O3S2
Molecular Weight275.35 g/mol
Exact Mass275.04
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CC2CCS(=O)(=O)C2)s1
InChIInChI=1S/C9H13N3O3S2/c1-6-11-12-9(16-6)10-8(13)4-7-2-3-17(14,15)5-7/h7H,2-5H2,1H3,(H,10,12,13)
InChIKeySSLYCRUBJXGSTF-UHFFFAOYSA-N
XLogP0.61
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7222640
2-[(1S)-cyclopent-2-en-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26192949
methyl 2-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7222796
N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7115987
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9049138
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 7222707
2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-2-methylphenyl)acetamide
CID 64795292
2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxy-2,5-dimethylphenyl)acetamide
CID 106834709
2-[(3R)-1,1-dioxothiolan-3-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 7222718
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 7222723
4-[[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]amino]benzamide
CID 9207165
N-(5-bromo-2-methylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 43806574

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 4170492) is 2-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CC2CCS(=O)(=O)C2)s1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is SSLYCRUBJXGSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S2/c1-6-11-12-9(16-6)10-8(13)4-7-2-3-17(14,15)5-7/h7H,2-5H2,1H3,(H,10,12,13).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 4170492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).