4-phenylimino-1,3-thiazolidin-2-one

C9H8N2OS — CID 135412584

IUPAC4-phenylimino-1,3-thiazolidin-2-one
SMILESO=C1N/C(=N/c2ccccc2)CS1
InChIInChI=1S/C9H8N2OS/c12-9-11-8(6-13-9)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11,12)
InChIKeyWJWWDONJARAUPN-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.17
Rot. Bonds1

About 4-phenylimino-1,3-thiazolidin-2-one

4-phenylimino-1,3-thiazolidin-2-one (PubChem CID 135412584) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 4-phenylimino-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name4-phenylimino-1,3-thiazolidin-2-one
PubChem CID135412584
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name4-phenylimino-1,3-thiazolidin-2-one
SMILESO=C1N/C(=N/c2ccccc2)CS1
InChIInChI=1S/C9H8N2OS/c12-9-11-8(6-13-9)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11,12)
InChIKeyWJWWDONJARAUPN-UHFFFAOYSA-N
XLogP2.17
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.17
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-(Phenylamino)-4,5-dihydro-1,3-thiazol-4-one
CID 135406265
2-[(4-Fluorophenyl)amino]-4,5-dihydro-1,3-thiazol-4-one
CID 135426081
(Z)-4-(p-tolylimino)thiazolidin-2-one
CID 135399106
(Z)-4-((4-fluorophenyl)imino)thiazolidin-2-one
CID 135399109
(Z)-4-(m-tolylimino)thiazolidin-2-one
CID 135399114
2-[(4-Fluorophenyl)azamethylene]-5-methyl-1,3-thiazolidin-4-one
CID 135523628
4(5H)-Thiazolone, 2-[(2-fluorophenyl)amino]-
CID 135481325
N'-phenyl-2-sulfanylethanimidamide
CID 88909295
2-(2,4-Difluorophenyl)imino-1,3-thiazolidin-4-one
CID 136010451
2-(2,5-Difluorophenyl)imino-1,3-thiazolidin-4-one
CID 136010452
2-[(3-fluorophenyl)amino]-1,3-thiazol-4(5H)-one
CID 135481328
4-{[3-(Trifluoromethyl)phenyl]azamethylene}-1,3-thiazolidin-2-one
CID 135711801

Frequently Asked Questions

What is the IUPAC name of 4-phenylimino-1,3-thiazolidin-2-one?
The IUPAC name of 4-phenylimino-1,3-thiazolidin-2-one (CID 135412584) is 4-phenylimino-1,3-thiazolidin-2-one.
What is the SMILES notation for 4-phenylimino-1,3-thiazolidin-2-one?
The canonical SMILES for 4-phenylimino-1,3-thiazolidin-2-one is O=C1N/C(=N/c2ccccc2)CS1.
What is the InChIKey of 4-phenylimino-1,3-thiazolidin-2-one?
The InChIKey is WJWWDONJARAUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c12-9-11-8(6-13-9)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11,12).
What are the key properties of 4-phenylimino-1,3-thiazolidin-2-one?
4-phenylimino-1,3-thiazolidin-2-one has a molecular weight of 192.24 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylimino-1,3-thiazolidin-2-one is sourced from PubChem (CID 135412584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).