(5S)-2-imino-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

C8H9N3OS2 — CID 42107380

IUPAC(5S)-2-imino-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S[C@@H](C)C(=O)N1c1nc(C)cs1
InChIInChI=1S/C8H9N3OS2/c1-4-3-13-8(10-4)11-6(12)5(2)14-7(11)9/h3,5,9H,1-2H3/b9-7-/t5-/m0/s1
InChIKeyBCYNSLNZQDIDCH-BKXSJQSLSA-N
MW227.31 g/mol
LogP1.85
Rot. Bonds1

About (5S)-2-imino-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

(5S)-2-imino-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 42107380) has the molecular formula C8H9N3OS2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (5S)-2-imino-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5S)-2-imino-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID42107380
Molecular FormulaC8H9N3OS2
Molecular Weight227.31 g/mol
Exact Mass227.02
IUPAC Name(5S)-2-imino-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S[C@@H](C)C(=O)N1c1nc(C)cs1
InChIInChI=1S/C8H9N3OS2/c1-4-3-13-8(10-4)11-6(12)5(2)14-7(11)9/h3,5,9H,1-2H3/b9-7-/t5-/m0/s1
InChIKeyBCYNSLNZQDIDCH-BKXSJQSLSA-N
XLogP1.85
TPSA57.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-imino-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (5S)-2-imino-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 42107380) is (5S)-2-imino-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5S)-2-imino-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5S)-2-imino-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is [H]/N=C1\S[C@@H](C)C(=O)N1c1nc(C)cs1.
What is the InChIKey of (5S)-2-imino-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is BCYNSLNZQDIDCH-BKXSJQSLSA-N. The full InChI is InChI=1S/C8H9N3OS2/c1-4-3-13-8(10-4)11-6(12)5(2)14-7(11)9/h3,5,9H,1-2H3/b9-7-/t5-/m0/s1.
What are the key properties of (5S)-2-imino-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
(5S)-2-imino-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 227.31 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-imino-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 42107380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).