N-[(1,1-dioxothiolan-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

C11H16N2O3S3 — CID 103787685

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NCC1CCCS1(=O)=O
InChIInChI=1S/C11H16N2O3S3/c1-7-9(18-11(17)13-7)5-10(14)12-6-8-3-2-4-19(8,15)16/h8H,2-6H2,1H3,(H,12,14)(H,13,17)
InChIKeyXYLCWSUNXHMFKB-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.35
Rot. Bonds4

About N-[(1,1-dioxothiolan-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

N-[(1,1-dioxothiolan-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 103787685) has the molecular formula C11H16N2O3S3 and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID103787685
Molecular FormulaC11H16N2O3S3
Molecular Weight320.46 g/mol
Exact Mass320.03
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NCC1CCCS1(=O)=O
InChIInChI=1S/C11H16N2O3S3/c1-7-9(18-11(17)13-7)5-10(14)12-6-8-3-2-4-19(8,15)16/h8H,2-6H2,1H3,(H,12,14)(H,13,17)
InChIKeyXYLCWSUNXHMFKB-UHFFFAOYSA-N
XLogP1.35
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 47125331
N-(1-methylpiperidin-4-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 47293453
N-[2,2-dimethyl-3-[[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetyl]amino]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 166202086
N-[(1-methoxycyclobutyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 113364785
N-cyclopent-3-en-1-yl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103762330
N-[(1,1-dioxothiolan-2-yl)methyl]-2-sulfanylacetamide
CID 81046326
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-oxothian-4-yl)acetamide
CID 104580826
5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 81039815
1-[(1,1-dioxothiolan-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 127492916
N-[(1,1-dioxothiolan-2-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 81038798
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 113241736
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 99618785

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 103787685) is N-[(1,1-dioxothiolan-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)NCC1CCCS1(=O)=O.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is XYLCWSUNXHMFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S3/c1-7-9(18-11(17)13-7)5-10(14)12-6-8-3-2-4-19(8,15)16/h8H,2-6H2,1H3,(H,12,14)(H,13,17).
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-[(1,1-dioxothiolan-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 320.46 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 103787685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).