(4-nitrophenyl)-(1,3-thiazolidin-3-yl)methanone

C10H10N2O3S — CID 2139870

IUPAC(4-nitrophenyl)-(1,3-thiazolidin-3-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCSC1
InChIInChI=1S/C10H10N2O3S/c13-10(11-5-6-16-7-11)8-1-3-9(4-2-8)12(14)15/h1-4H,5-7H2
InChIKeyJKEFHTUNNALUDO-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.74
Rot. Bonds2

About (4-nitrophenyl)-(1,3-thiazolidin-3-yl)methanone

(4-nitrophenyl)-(1,3-thiazolidin-3-yl)methanone (PubChem CID 2139870) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is (4-nitrophenyl)-(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-nitrophenyl)-(1,3-thiazolidin-3-yl)methanone
PubChem CID2139870
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name(4-nitrophenyl)-(1,3-thiazolidin-3-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCSC1
InChIInChI=1S/C10H10N2O3S/c13-10(11-5-6-16-7-11)8-1-3-9(4-2-8)12(14)15/h1-4H,5-7H2
InChIKeyJKEFHTUNNALUDO-UHFFFAOYSA-N
XLogP1.74
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.74
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

N,N-Dimethyl-4-nitro-benzamide
CID 138975
1-(4-Nitrobenzoyl)indoline
CID 722560
(4-Nitrophenyl)[4-(propan-2-yl)piperazin-1-yl]methanone
CID 764416
1-(4-Nitrobenzoyl)piperidine
CID 225468
(4-Nitrophenyl)(pyrrolidin-1-yl)methanone
CID 386112
Propiophenone, 4'-nitro-3-(1-pyrrolidinyl)-, monohydrochloride
CID 201585
(2,4-Dinitrophenyl)-pyrrolidin-1-ylmethanone
CID 1733315
[2-[(4-Methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-nitrophenyl)methanone
CID 4114328
(4-Nitrophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 787265
4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 844960
N-[2-(tert-butylsulfanyl)ethyl]-3-nitrobenzamide
CID 2269293
2-(2-Chlorophenyl)-3-(4-nitrobenzoyl)-1,3-thiazolidine
CID 2880577

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (4-nitrophenyl)-(1,3-thiazolidin-3-yl)methanone (CID 2139870) is (4-nitrophenyl)-(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (4-nitrophenyl)-(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (4-nitrophenyl)-(1,3-thiazolidin-3-yl)methanone is O=C(c1ccc([N+](=O)[O-])cc1)N1CCSC1.
What is the InChIKey of (4-nitrophenyl)-(1,3-thiazolidin-3-yl)methanone?
The InChIKey is JKEFHTUNNALUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c13-10(11-5-6-16-7-11)8-1-3-9(4-2-8)12(14)15/h1-4H,5-7H2.
What are the key properties of (4-nitrophenyl)-(1,3-thiazolidin-3-yl)methanone?
(4-nitrophenyl)-(1,3-thiazolidin-3-yl)methanone has a molecular weight of 238.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 2139870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).