5-chloro-N-[(Z)-(5-methyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide

C15H12ClN3O2S2 — CID 90457181

IUPAC5-chloro-N-[(Z)-(5-methyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide
SMILESCC1S/C(=N\NC(=O)c2ccc(Cl)s2)N(c2ccccc2)C1=O
InChIInChI=1S/C15H12ClN3O2S2/c1-9-14(21)19(10-5-3-2-4-6-10)15(22-9)18-17-13(20)11-7-8-12(16)23-11/h2-9H,1H3,(H,17,20)/b18-15-
InChIKeyAXVWDFYTOZJJNB-SDXDJHTJSA-N
MW365.87 g/mol
LogP3.57
Rot. Bonds3

About 5-chloro-N-[(Z)-(5-methyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide

5-chloro-N-[(Z)-(5-methyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide (PubChem CID 90457181) has the molecular formula C15H12ClN3O2S2 and a molecular weight of 365.87 g/mol. Its IUPAC name is 5-chloro-N-[(Z)-(5-methyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(Z)-(5-methyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide
PubChem CID90457181
Molecular FormulaC15H12ClN3O2S2
Molecular Weight365.87 g/mol
Exact Mass365.01
IUPAC Name5-chloro-N-[(Z)-(5-methyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide
SMILESCC1S/C(=N\NC(=O)c2ccc(Cl)s2)N(c2ccccc2)C1=O
InChIInChI=1S/C15H12ClN3O2S2/c1-9-14(21)19(10-5-3-2-4-6-10)15(22-9)18-17-13(20)11-7-8-12(16)23-11/h2-9H,1H3,(H,17,20)/b18-15-
InChIKeyAXVWDFYTOZJJNB-SDXDJHTJSA-N
XLogP3.57
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 5-chloro-N-[(Z)-(5-methyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(Z)-(5-methyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide (CID 90457181) is 5-chloro-N-[(Z)-(5-methyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(Z)-(5-methyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(Z)-(5-methyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide is CC1S/C(=N\NC(=O)c2ccc(Cl)s2)N(c2ccccc2)C1=O.
What is the InChIKey of 5-chloro-N-[(Z)-(5-methyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide?
The InChIKey is AXVWDFYTOZJJNB-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H12ClN3O2S2/c1-9-14(21)19(10-5-3-2-4-6-10)15(22-9)18-17-13(20)11-7-8-12(16)23-11/h2-9H,1H3,(H,17,20)/b18-15-.
What are the key properties of 5-chloro-N-[(Z)-(5-methyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide?
5-chloro-N-[(Z)-(5-methyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide has a molecular weight of 365.87 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(Z)-(5-methyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide is sourced from PubChem (CID 90457181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).