1-[(4R)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone

C8H13NOS2 — CID 11745744

IUPAC1-[(4R)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1C(=S)SC[C@H]1C(C)C
InChIInChI=1S/C8H13NOS2/c1-5(2)7-4-12-8(11)9(7)6(3)10/h5,7H,4H2,1-3H3/t7-/m0/s1
InChIKeyCYDMQPSVCPSMSG-ZETCQYMHSA-N
MW203.33 g/mol
LogP1.89
Rot. Bonds1

About 1-[(4R)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone

1-[(4R)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone (PubChem CID 11745744) has the molecular formula C8H13NOS2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-[(4R)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(4R)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone
PubChem CID11745744
Molecular FormulaC8H13NOS2
Molecular Weight203.33 g/mol
Exact Mass203.04
IUPAC Name1-[(4R)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1C(=S)SC[C@H]1C(C)C
InChIInChI=1S/C8H13NOS2/c1-5(2)7-4-12-8(11)9(7)6(3)10/h5,7H,4H2,1-3H3/t7-/m0/s1
InChIKeyCYDMQPSVCPSMSG-ZETCQYMHSA-N
XLogP1.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Thiazolidinone, 3-propyl-2-thioxo-
CID 170162
2,2-Dimethyl-1-(2-thioxothiazolidin-3-yl)propan-1-one
CID 11769595
1-[(4S)-4-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-3-yl]propan-1-one
CID 11009405
(S)-1-(4-(tert-Butyl)-2-thioxothiazolidin-3-yl)ethan-1-one
CID 11736091
(S)-1-(4-isopropyl-2-thioxothiazolidin-3-yl)ethanone
CID 11745745
1-(4-Tert-butyl-2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 10632577
1-(4-(1-Methylethyl)-2-thioxo-3-thiazolidinyl)ethanone
CID 10774524
Ctk1D1187
CID 11298914
2-Thiazolidinethione, 4-(1-methylethyl)-3-(1-oxobutyl)-, (4S)-
CID 11701400
3-(2-Methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 12220058
Isoamylrhodanin
CID 12220060
1-[(5S)-5-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone
CID 135040062

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 1-[(4R)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone (CID 11745744) is 1-[(4R)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 1-[(4R)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 1-[(4R)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone is CC(=O)N1C(=S)SC[C@H]1C(C)C.
What is the InChIKey of 1-[(4R)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is CYDMQPSVCPSMSG-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13NOS2/c1-5(2)7-4-12-8(11)9(7)6(3)10/h5,7H,4H2,1-3H3/t7-/m0/s1.
What are the key properties of 1-[(4R)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone?
1-[(4R)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 203.33 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 11745744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).