3-methyl-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-one

C7H11NOS2 — CID 58735224

IUPAC3-methyl-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-one
SMILESCC(C)C1C(=O)SC(=S)N1C
InChIInChI=1S/C7H11NOS2/c1-4(2)5-6(9)11-7(10)8(5)3/h4-5H,1-3H3
InChIKeyRSELLCPDTUSRLW-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.50
Rot. Bonds1

About 3-methyl-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-one

3-methyl-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-one (PubChem CID 58735224) has the molecular formula C7H11NOS2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-methyl-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-one.

Molecular Properties

Compound Name3-methyl-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-one
PubChem CID58735224
Molecular FormulaC7H11NOS2
Molecular Weight189.30 g/mol
Exact Mass189.03
IUPAC Name3-methyl-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-one
SMILESCC(C)C1C(=O)SC(=S)N1C
InChIInChI=1S/C7H11NOS2/c1-4(2)5-6(9)11-7(10)8(5)3/h4-5H,1-3H3
InChIKeyRSELLCPDTUSRLW-UHFFFAOYSA-N
XLogP1.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;3-methyl-4-propan-2-yl-2-sulfanylidene-1,3-oxazolidin-5-one;3-methyl-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-one
CID 162181892
4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
CID 3227
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CID 45097321
3-cyclopropyl-1-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64885064
3-ethyl-4,10,16-trimethyl-6,9,12,15,18-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
CID 85364381
1,3-dichloro-5-propan-2-ylimidazolidine-2,4-dione
CID 88844619
4-methyl-3-propan-2-yl-3H-1,2,4-triazole-5-thione
CID 170921775
(3R,6R,9S,12R,15R,18R)-3-[(2S)-butan-2-yl]-4,10,16-trimethyl-6,9,12,15,18-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
CID 124823368
(4R)-3,4-di(propan-2-yl)-1,3-thiazolidine-2-thione
CID 129105778
5-methyl-3-propan-2-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 121205238
2,3-di(propan-2-yl)-4,5-di(propan-2-ylidene)-1,2-thiazolidine 1,1-dioxide
CID 170416406
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-one?
The IUPAC name of 3-methyl-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-one (CID 58735224) is 3-methyl-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-one.
What is the SMILES notation for 3-methyl-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-one?
The canonical SMILES for 3-methyl-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-one is CC(C)C1C(=O)SC(=S)N1C.
What is the InChIKey of 3-methyl-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-one?
The InChIKey is RSELLCPDTUSRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS2/c1-4(2)5-6(9)11-7(10)8(5)3/h4-5H,1-3H3.
What are the key properties of 3-methyl-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-one?
3-methyl-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-one has a molecular weight of 189.30 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-one is sourced from PubChem (CID 58735224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).