(4-nitrophenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone

C15H13N3O3S — CID 5180105

IUPAC(4-nitrophenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCSC1c1cccnc1
InChIInChI=1S/C15H13N3O3S/c19-14(11-3-5-13(6-4-11)18(20)21)17-8-9-22-15(17)12-2-1-7-16-10-12/h1-7,10,15H,8-9H2
InChIKeyMVYRHGCETBEIFE-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.88
Rot. Bonds3

About (4-nitrophenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone

(4-nitrophenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone (PubChem CID 5180105) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is (4-nitrophenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-nitrophenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone
PubChem CID5180105
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name(4-nitrophenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCSC1c1cccnc1
InChIInChI=1S/C15H13N3O3S/c19-14(11-3-5-13(6-4-11)18(20)21)17-8-9-22-15(17)12-2-1-7-16-10-12/h1-7,10,15H,8-9H2
InChIKeyMVYRHGCETBEIFE-UHFFFAOYSA-N
XLogP2.88
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-phenylphenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone
CID 4129927
(4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 10913511
[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone
CID 3257752
(2-chlorophenyl)-[(2R)-2-pyridin-3-yl-1,3-thiazolidin-3-yl]methanone
CID 815814
3-(4-nitrobenzoyl)-1,3-thiazolidine-2-carboxylic acid
CID 3995386
3-(4-nitrophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 13304122
[(2R)-2-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone
CID 2225955
(4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone
CID 42780998
[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 122329725
(2-phenyl-1,3-thiazolidin-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122329188
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone
CID 122331337
N-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide
CID 4568758

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (4-nitrophenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone (CID 5180105) is (4-nitrophenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (4-nitrophenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (4-nitrophenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone is O=C(c1ccc([N+](=O)[O-])cc1)N1CCSC1c1cccnc1.
What is the InChIKey of (4-nitrophenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone?
The InChIKey is MVYRHGCETBEIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c19-14(11-3-5-13(6-4-11)18(20)21)17-8-9-22-15(17)12-2-1-7-16-10-12/h1-7,10,15H,8-9H2.
What are the key properties of (4-nitrophenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone?
(4-nitrophenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone has a molecular weight of 315.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 5180105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).