N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-5-nitrophenyl)acetamide

C19H25FN4O3S — CID 67349054

IUPACN-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
SMILESCC(=O)N(c1cc([N+](=O)[O-])ccc1F)C1C(C)S/C(=N\C2CCCCC2)N1C
InChIInChI=1S/C19H25FN4O3S/c1-12-18(22(3)19(28-12)21-14-7-5-4-6-8-14)23(13(2)25)17-11-15(24(26)27)9-10-16(17)20/h9-12,14,18H,4-8H2,1-3H3/b21-19-
InChIKeyZMSUELHPEAPWOY-VZCXRCSSSA-N
MW408.50 g/mol
LogP4.17
Rot. Bonds4

About N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-5-nitrophenyl)acetamide

N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-5-nitrophenyl)acetamide (PubChem CID 67349054) has the molecular formula C19H25FN4O3S and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-5-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
PubChem CID67349054
Molecular FormulaC19H25FN4O3S
Molecular Weight408.50 g/mol
Exact Mass408.16
IUPAC NameN-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
SMILESCC(=O)N(c1cc([N+](=O)[O-])ccc1F)C1C(C)S/C(=N\C2CCCCC2)N1C
InChIInChI=1S/C19H25FN4O3S/c1-12-18(22(3)19(28-12)21-14-7-5-4-6-8-14)23(13(2)25)17-11-15(24(26)27)9-10-16(17)20/h9-12,14,18H,4-8H2,1-3H3/b21-19-
InChIKeyZMSUELHPEAPWOY-VZCXRCSSSA-N
XLogP4.17
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.17
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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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-5-nitrophenyl)acetamide?
The IUPAC name of N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-5-nitrophenyl)acetamide (CID 67349054) is N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-5-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-5-nitrophenyl)acetamide?
The canonical SMILES for N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-5-nitrophenyl)acetamide is CC(=O)N(c1cc([N+](=O)[O-])ccc1F)C1C(C)S/C(=N\C2CCCCC2)N1C.
What is the InChIKey of N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-5-nitrophenyl)acetamide?
The InChIKey is ZMSUELHPEAPWOY-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H25FN4O3S/c1-12-18(22(3)19(28-12)21-14-7-5-4-6-8-14)23(13(2)25)17-11-15(24(26)27)9-10-16(17)20/h9-12,14,18H,4-8H2,1-3H3/b21-19-.
What are the key properties of N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-5-nitrophenyl)acetamide?
N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-5-nitrophenyl)acetamide has a molecular weight of 408.50 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-5-nitrophenyl)acetamide is sourced from PubChem (CID 67349054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).