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

C9H7ClN2OS — CID 135440923

IUPAC2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc(Cl)c2)N1
InChIInChI=1S/C9H7ClN2OS/c10-6-2-1-3-7(4-6)11-9-12-8(13)5-14-9/h1-4H,5H2,(H,11,12,13)
InChIKeyHDPOWWWAERDNOX-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.19
Rot. Bonds1

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

2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135440923) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is 2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID135440923
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC Name2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc(Cl)c2)N1
InChIInChI=1S/C9H7ClN2OS/c10-6-2-1-3-7(4-6)11-9-12-8(13)5-14-9/h1-4H,5H2,(H,11,12,13)
InChIKeyHDPOWWWAERDNOX-UHFFFAOYSA-N
XLogP2.19
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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
2-[(2-Chlorophenyl)imino]-3-ethyl-1,3-thiazolidin-4-one
CID 1377865
2-[(2,3-dichlorophenyl)amino]-1,3-thiazol-4(5H)-one
CID 135495900
1-(3-Chloro-phenyl)-2-ethyl-isothiourea; hydrochloride
CID 10632442
2-(2,6-Dichlorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989325
2-(2,4-Dichlorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989380
2-(2-Chlorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989432
2-(2-Chlorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
CID 135999786
(2Z)-2-[(4-chlorophenyl)imino]-1,3-thiazolidin-4-one
CID 135458732
Stk347774
CID 135417096
1-(3-Chlorophenyl)-3-(3-methylthiazolidin-2-ylidene)urea
CID 44408212

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one (CID 135440923) is 2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2cccc(Cl)c2)N1.
What is the InChIKey of 2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is HDPOWWWAERDNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c10-6-2-1-3-7(4-6)11-9-12-8(13)5-14-9/h1-4H,5H2,(H,11,12,13).
What are the key properties of 2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one?
2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 226.69 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135440923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).