1,3-bis[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]thiourea

C19H16Cl2N4O2S3 — CID 14145607

IUPAC1,3-bis[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]thiourea
SMILESO=C1CSC(c2ccc(Cl)cc2)N1NC(=S)NN1C(=O)CSC1c1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2N4O2S3/c20-13-5-1-11(2-6-13)17-24(15(26)9-29-17)22-19(28)23-25-16(27)10-30-18(25)12-3-7-14(21)8-4-12/h1-8,17-18H,9-10H2,(H2,22,23,28)
InChIKeyVJEYWUWJJNAOIQ-UHFFFAOYSA-N
MW499.47 g/mol
LogP4.14
Rot. Bonds4

About 1,3-bis[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]thiourea

1,3-bis[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]thiourea (PubChem CID 14145607) has the molecular formula C19H16Cl2N4O2S3 and a molecular weight of 499.47 g/mol. Its IUPAC name is 1,3-bis[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]thiourea.

Molecular Properties

Compound Name1,3-bis[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]thiourea
PubChem CID14145607
Molecular FormulaC19H16Cl2N4O2S3
Molecular Weight499.47 g/mol
Exact Mass497.98
IUPAC Name1,3-bis[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]thiourea
SMILESO=C1CSC(c2ccc(Cl)cc2)N1NC(=S)NN1C(=O)CSC1c1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2N4O2S3/c20-13-5-1-11(2-6-13)17-24(15(26)9-29-17)22-19(28)23-25-16(27)10-30-18(25)12-3-7-14(21)8-4-12/h1-8,17-18H,9-10H2,(H2,22,23,28)
InChIKeyVJEYWUWJJNAOIQ-UHFFFAOYSA-N
XLogP4.14
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.47
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-3-phenylthiourea
CID 1268838
N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 11024209
N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide
CID 10671957
N-[2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]pyridine-4-carboxamide
CID 53494524
(2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 1207971
2-(4-chlorophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 25023320
4-chloro-N-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]benzamide
CID 682122
N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 45029379
(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 674166
2-(4-chlorophenyl)-N-[2-(3-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 25023321
2-[(2S)-3-[(2-chlorophenyl)carbamothioylamino]-4-oxo-1,3-thiazolidin-2-yl]benzoate
CID 6979612
N-(1,3-benzothiazol-2-yl)-2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]acetamide
CID 25140448

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]thiourea?
The IUPAC name of 1,3-bis[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]thiourea (CID 14145607) is 1,3-bis[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]thiourea.
What is the SMILES notation for 1,3-bis[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]thiourea?
The canonical SMILES for 1,3-bis[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]thiourea is O=C1CSC(c2ccc(Cl)cc2)N1NC(=S)NN1C(=O)CSC1c1ccc(Cl)cc1.
What is the InChIKey of 1,3-bis[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]thiourea?
The InChIKey is VJEYWUWJJNAOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O2S3/c20-13-5-1-11(2-6-13)17-24(15(26)9-29-17)22-19(28)23-25-16(27)10-30-18(25)12-3-7-14(21)8-4-12/h1-8,17-18H,9-10H2,(H2,22,23,28).
What are the key properties of 1,3-bis[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]thiourea?
1,3-bis[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]thiourea has a molecular weight of 499.47 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]thiourea is sourced from PubChem (CID 14145607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).