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

C7H7N3OS2 — CID 6489255

IUPAC2-imino-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1nc(C)cs1
InChIInChI=1S/C7H7N3OS2/c1-4-2-13-7(9-4)10-5(11)3-12-6(10)8/h2,8H,3H2,1H3/b8-6-
InChIKeyPMMSEIYOKZZFNY-VURMDHGXSA-N
MW213.29 g/mol
LogP1.47
Rot. Bonds1

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

2-imino-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 6489255) has the molecular formula C7H7N3OS2 and a molecular weight of 213.29 g/mol. Its IUPAC name is 2-imino-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID6489255
Molecular FormulaC7H7N3OS2
Molecular Weight213.29 g/mol
Exact Mass213.00
IUPAC Name2-imino-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1nc(C)cs1
InChIInChI=1S/C7H7N3OS2/c1-4-2-13-7(9-4)10-5(11)3-12-6(10)8/h2,8H,3H2,1H3/b8-6-
InChIKeyPMMSEIYOKZZFNY-VURMDHGXSA-N
XLogP1.47
TPSA57.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Acetamido-4-methylthiazole
CID 280907
N-(4-methylthiazol-2-yl)propionamide
CID 3613666
2,2,2-trifluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1229693
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1235811
N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2221983
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]acetamide
CID 14962262
2-cyclopentylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30588636
N-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)acetamide
CID 2326483
2-Acetamido-4-methylthiomethylthiazole
CID 47263059
N-(4-(fluoromethyl)thiazol-2-yl)acetamide
CID 59293708
N-[4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 155193876
N-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)acetamide
CID 51078895

Frequently Asked Questions

What is the IUPAC name of 2-imino-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 6489255) is 2-imino-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1nc(C)cs1.
What is the InChIKey of 2-imino-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is PMMSEIYOKZZFNY-VURMDHGXSA-N. The full InChI is InChI=1S/C7H7N3OS2/c1-4-2-13-7(9-4)10-5(11)3-12-6(10)8/h2,8H,3H2,1H3/b8-6-.
What are the key properties of 2-imino-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
2-imino-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 213.29 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 6489255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).