2-(2,6-dichloro-4-nitrophenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one

C14H15Cl2N3O3S — CID 22951282

IUPAC2-(2,6-dichloro-4-nitrophenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one
SMILESCCC(C)CN1C(=O)CS/C1=N\c1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H15Cl2N3O3S/c1-3-8(2)6-18-12(20)7-23-14(18)17-13-10(15)4-9(19(21)22)5-11(13)16/h4-5,8H,3,6-7H2,1-2H3/b17-14-
InChIKeyFSXGPALLRXCXQC-VKAVYKQESA-N
MW376.27 g/mol
LogP4.51
Rot. Bonds5

About 2-(2,6-dichloro-4-nitrophenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one

2-(2,6-dichloro-4-nitrophenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one (PubChem CID 22951282) has the molecular formula C14H15Cl2N3O3S and a molecular weight of 376.27 g/mol. Its IUPAC name is 2-(2,6-dichloro-4-nitrophenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dichloro-4-nitrophenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one
PubChem CID22951282
Molecular FormulaC14H15Cl2N3O3S
Molecular Weight376.27 g/mol
Exact Mass375.02
IUPAC Name2-(2,6-dichloro-4-nitrophenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one
SMILESCCC(C)CN1C(=O)CS/C1=N\c1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H15Cl2N3O3S/c1-3-8(2)6-18-12(20)7-23-14(18)17-13-10(15)4-9(19(21)22)5-11(13)16/h4-5,8H,3,6-7H2,1-2H3/b17-14-
InChIKeyFSXGPALLRXCXQC-VKAVYKQESA-N
XLogP4.51
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-butan-2-yl-2-(2,6-dichloro-4-nitrophenyl)imino-1,3-thiazolidin-4-one
CID 57155887
N-(2,6-dichloro-4-nitrophenyl)-3-(2-methylbutyl)-1,3-thiazolidin-2-imine
CID 22951398
2-(3-chloro-4-methylphenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one
CID 142006995
(2Z)-3-[(4-nitrophenyl)methyl]-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 127039380
3-methyl-2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-4-one
CID 22951302
2,6-dichloro-N-(2-ethylbutyl)-4-nitroaniline
CID 106891704
7-fluoro-4-(2-methylpropyl)-6-nitro-1,4-benzothiazin-3-one
CID 142633002
[1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 55380153
3-[(4-ethoxyphenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 1420863
2,6-dichloro-N-(2-ethoxypropyl)-4-nitroaniline
CID 104917732
2-chloro-N-(3-ethylpentan-2-yl)-4-nitroaniline
CID 63837104
2,6-dichloro-4-nitro-N-propan-2-ylaniline
CID 13358260

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-4-nitrophenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dichloro-4-nitrophenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one (CID 22951282) is 2-(2,6-dichloro-4-nitrophenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dichloro-4-nitrophenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dichloro-4-nitrophenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one is CCC(C)CN1C(=O)CS/C1=N\c1c(Cl)cc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-(2,6-dichloro-4-nitrophenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one?
The InChIKey is FSXGPALLRXCXQC-VKAVYKQESA-N. The full InChI is InChI=1S/C14H15Cl2N3O3S/c1-3-8(2)6-18-12(20)7-23-14(18)17-13-10(15)4-9(19(21)22)5-11(13)16/h4-5,8H,3,6-7H2,1-2H3/b17-14-.
What are the key properties of 2-(2,6-dichloro-4-nitrophenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one?
2-(2,6-dichloro-4-nitrophenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one has a molecular weight of 376.27 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-4-nitrophenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 22951282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).