[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone

C16H13ClN2O3S — CID 2880577

IUPAC[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCSC1c1ccccc1Cl
InChIInChI=1S/C16H13ClN2O3S/c17-14-4-2-1-3-13(14)16-18(9-10-23-16)15(20)11-5-7-12(8-6-11)19(21)22/h1-8,16H,9-10H2
InChIKeyVGEWQWGHRRYTBH-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.14
Rot. Bonds3

About [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone

[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone (PubChem CID 2880577) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone
PubChem CID2880577
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC Name[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCSC1c1ccccc1Cl
InChIInChI=1S/C16H13ClN2O3S/c17-14-4-2-1-3-13(14)16-18(9-10-23-16)15(20)11-5-7-12(8-6-11)19(21)22/h1-8,16H,9-10H2
InChIKeyVGEWQWGHRRYTBH-UHFFFAOYSA-N
XLogP4.14
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-N-{2,2,2-trichloro-1-[(4-chlorophenyl)sulfanyl]ethyl}benzamide
CID 2830271
[2-(4-Methylphenyl)-1,3-thiazolidin-3-yl](4-nitrophenyl)methanone
CID 3355389
(3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrophenyl)(1-pyrrolidinyl)methanone
CID 3757027
2-(3-Chlorophenyl)-3-(4-nitrobenzoyl)-1,3-thiazolidine
CID 4450552
2-(4-Bromophenyl)-3-(4-nitrobenzoyl)-1,3-thiazolidine
CID 5121482
(2-(4-(Dimethylamino)phenyl)thiazolidin-3-yl)(4-nitrophenyl)methanone
CID 12005925
2-chloro-4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 896736
1-Benzyl-4-(2-chloro-4-nitrobenzoyl)piperazine
CID 1021474
2-Chloro-N-ethyl-4-nitro-N-phenylbenzamide
CID 603524
[2-(4-Chloro-phenyl)-thiazolidin-3-yl]-(4-nitro-phenyl)-methanone
CID 2847369
(4-Nitrophenyl)(2-phenylthiazolidin-3-yl)methanone
CID 5054736
2,6-Dichloro-N-[2-(3-nitro-benzylsulfanyl)-ethyl]-benzamide
CID 46867955

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone?
The IUPAC name of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone (CID 2880577) is [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone is O=C(c1ccc([N+](=O)[O-])cc1)N1CCSC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone?
The InChIKey is VGEWQWGHRRYTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c17-14-4-2-1-3-13(14)16-18(9-10-23-16)15(20)11-5-7-12(8-6-11)19(21)22/h1-8,16H,9-10H2.
What are the key properties of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone?
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone has a molecular weight of 348.81 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone is sourced from PubChem (CID 2880577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).