4-(3-methylphenyl)imino-1,3-thiazolidin-2-one

C10H10N2OS — CID 135399114

IUPAC4-(3-methylphenyl)imino-1,3-thiazolidin-2-one
SMILESCc1cccc(/N=C2/CSC(=O)N2)c1
InChIInChI=1S/C10H10N2OS/c1-7-3-2-4-8(5-7)11-9-6-14-10(13)12-9/h2-5H,6H2,1H3,(H,11,12,13)
InChIKeyUOHZTZVRSZMUQT-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.48
Rot. Bonds1

About 4-(3-methylphenyl)imino-1,3-thiazolidin-2-one

4-(3-methylphenyl)imino-1,3-thiazolidin-2-one (PubChem CID 135399114) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-(3-methylphenyl)imino-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name4-(3-methylphenyl)imino-1,3-thiazolidin-2-one
PubChem CID135399114
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name4-(3-methylphenyl)imino-1,3-thiazolidin-2-one
SMILESCc1cccc(/N=C2/CSC(=O)N2)c1
InChIInChI=1S/C10H10N2OS/c1-7-3-2-4-8(5-7)11-9-6-14-10(13)12-9/h2-5H,6H2,1H3,(H,11,12,13)
InChIKeyUOHZTZVRSZMUQT-UHFFFAOYSA-N
XLogP2.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-p-Tolylamino-thiazol-4-one
CID 135411781
2-m-Tolylamino-thiazol-4-one
CID 135415496
5-ethyl-2-[(2-methylphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135450677
4-(Phenylamino)-2(5H)-thiazolone
CID 135412584
2-o-Tolylamino-thiazol-4-one
CID 135415405
2-(3-Trifluoromethyl-phenylamino)-thiazol-4-one
CID 135448709
(Z)-4-(p-tolylimino)thiazolidin-2-one
CID 135399106
(Z)-4-((4-fluorophenyl)imino)thiazolidin-2-one
CID 135399109
2-(3,5-Dimethyl-phenylimino)-thiazolidin-4-one
CID 135459529
2-(3,4-Dimethylanilino)-1,3-thiazol-4-one
CID 135468636
2-[(Z)-4-Ethyl-phenylimino]-thiazolidin-4-one
CID 135468637
N-(3-Aminomethyl-phenyl)-2-methylsulfanyl-acetamidine
CID 10761718

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)imino-1,3-thiazolidin-2-one?
The IUPAC name of 4-(3-methylphenyl)imino-1,3-thiazolidin-2-one (CID 135399114) is 4-(3-methylphenyl)imino-1,3-thiazolidin-2-one.
What is the SMILES notation for 4-(3-methylphenyl)imino-1,3-thiazolidin-2-one?
The canonical SMILES for 4-(3-methylphenyl)imino-1,3-thiazolidin-2-one is Cc1cccc(/N=C2/CSC(=O)N2)c1.
What is the InChIKey of 4-(3-methylphenyl)imino-1,3-thiazolidin-2-one?
The InChIKey is UOHZTZVRSZMUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-7-3-2-4-8(5-7)11-9-6-14-10(13)12-9/h2-5H,6H2,1H3,(H,11,12,13).
What are the key properties of 4-(3-methylphenyl)imino-1,3-thiazolidin-2-one?
4-(3-methylphenyl)imino-1,3-thiazolidin-2-one has a molecular weight of 206.27 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)imino-1,3-thiazolidin-2-one is sourced from PubChem (CID 135399114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).