N-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]acetamide

C17H14N4O2S — CID 155527152

IUPACN-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]acetamide
SMILES[H]/N=C1\NC(=O)/C(=C/c2cncc(-c3ccc(NC(C)=O)cc3)c2)S1
InChIInChI=1S/C17H14N4O2S/c1-10(22)20-14-4-2-12(3-5-14)13-6-11(8-19-9-13)7-15-16(23)21-17(18)24-15/h2-9H,1H3,(H,20,22)(H2,18,21,23)/b15-7-
InChIKeyBLPOJDVRPDPMDP-CHHVJCJISA-N
MW338.39 g/mol
LogP2.85
Rot. Bonds3

About N-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]acetamide

N-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]acetamide (PubChem CID 155527152) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]acetamide
PubChem CID155527152
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC NameN-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]acetamide
SMILES[H]/N=C1\NC(=O)/C(=C/c2cncc(-c3ccc(NC(C)=O)cc3)c2)S1
InChIInChI=1S/C17H14N4O2S/c1-10(22)20-14-4-2-12(3-5-14)13-6-11(8-19-9-13)7-15-16(23)21-17(18)24-15/h2-9H,1H3,(H,20,22)(H2,18,21,23)/b15-7-
InChIKeyBLPOJDVRPDPMDP-CHHVJCJISA-N
XLogP2.85
TPSA94.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]acetamide (CID 155527152) is N-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]acetamide is [H]/N=C1\NC(=O)/C(=C/c2cncc(-c3ccc(NC(C)=O)cc3)c2)S1.
What is the InChIKey of N-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]acetamide?
The InChIKey is BLPOJDVRPDPMDP-CHHVJCJISA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-10(22)20-14-4-2-12(3-5-14)13-6-11(8-19-9-13)7-15-16(23)21-17(18)24-15/h2-9H,1H3,(H,20,22)(H2,18,21,23)/b15-7-.
What are the key properties of N-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]acetamide?
N-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]acetamide has a molecular weight of 338.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 155527152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).