N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C14H16ClN3O4S — CID 18132159

IUPACN-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCN1CCSC1=O
InChIInChI=1S/C14H16ClN3O4S/c1-16(13(19)4-5-17-6-7-23-14(17)20)9-10-8-11(18(21)22)2-3-12(10)15/h2-3,8H,4-7,9H2,1H3
InChIKeyPIDIGRIFOMRLNX-UHFFFAOYSA-N
MW357.82 g/mol
LogP2.77
Rot. Bonds6

About N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 18132159) has the molecular formula C14H16ClN3O4S and a molecular weight of 357.82 g/mol. Its IUPAC name is N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID18132159
Molecular FormulaC14H16ClN3O4S
Molecular Weight357.82 g/mol
Exact Mass357.06
IUPAC NameN-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCN1CCSC1=O
InChIInChI=1S/C14H16ClN3O4S/c1-16(13(19)4-5-17-6-7-23-14(17)20)9-10-8-11(18(21)22)2-3-12(10)15/h2-3,8H,4-7,9H2,1H3
InChIKeyPIDIGRIFOMRLNX-UHFFFAOYSA-N
XLogP2.77
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 52.77
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'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3-(3-Dimethylaminopropyl)-2-(3-nitrophenyl)thiazolidin-4-one hydrochloride
CID 2861785
3-[3-(Dimethylamino)propyl]-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 2861786
(5Z)-5-[(4-chlorophenyl)methylidene]-3-[(3-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 177382554
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-[(3-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 177382557
3-(4-Chlorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 4055120
3-(4-Chlorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 4256048
3-(3-Chloro-2-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 5043538
3-(3-Chloro-4-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 5055512
3-(3-Chlorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 5055513
3-(4-Chlorophenyl)-2-(3-nitrophenyl)-1,1-dioxo-1,3-thiazolidin-4-one
CID 5197083
(5E)-3-(2-chloro-6-fluorobenzyl)-5-(3-nitrobenzylidene)-1,3-thiazolidine-2,4-dione
CID 1498694
3-[(2-Chloro-6-fluorophenyl)methyl]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3353063

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 18132159) is N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCN1CCSC1=O.
What is the InChIKey of N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is PIDIGRIFOMRLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O4S/c1-16(13(19)4-5-17-6-7-23-14(17)20)9-10-8-11(18(21)22)2-3-12(10)15/h2-3,8H,4-7,9H2,1H3.
What are the key properties of N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 357.82 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 18132159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).