N-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide

C14H15N3O2S — CID 3401477

IUPACN-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide
SMILESC=CCN1C(=O)CSC1=NNC(=O)Cc1ccccc1
InChIInChI=1S/C14H15N3O2S/c1-2-8-17-13(19)10-20-14(17)16-15-12(18)9-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,15,18)
InChIKeyLAQHAPXGYFUCRU-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.38
Rot. Bonds5

About N-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide

N-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide (PubChem CID 3401477) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide
PubChem CID3401477
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide
SMILESC=CCN1C(=O)CSC1=NNC(=O)Cc1ccccc1
InChIInChI=1S/C14H15N3O2S/c1-2-8-17-13(19)10-20-14(17)16-15-12(18)9-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,15,18)
InChIKeyLAQHAPXGYFUCRU-UHFFFAOYSA-N
XLogP1.38
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzoic acid [4-oxo-thiazolidin-(2E)-ylidene]-hydrazide
CID 135759036
2-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 9463566
(Z)-N'-(3-allyl-4-oxothiazolidin-2-ylidene)benzohydrazide
CID 7024741
N-[(E)-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]benzamide
CID 6303866
Sdccgsbi-0662113.P001
CID 8003887
3-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one
CID 8439504
N-(methylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 16271111
N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(3-fluoro-4-phenylphenyl)propanamide
CID 72722227
2-(3-fluoro-4-phenylphenyl)-N-[(Z)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]propanamide
CID 76316167
2-(3-fluoro-4-phenylphenyl)-N-[(Z)-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]propanamide
CID 76323524
N'-(4-oxo-2-thiazolyl)benzohydrazide
CID 135418773
N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide
CID 135879102

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide?
The IUPAC name of N-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide (CID 3401477) is N-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide.
What is the SMILES notation for N-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide?
The canonical SMILES for N-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide is C=CCN1C(=O)CSC1=NNC(=O)Cc1ccccc1.
What is the InChIKey of N-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide?
The InChIKey is LAQHAPXGYFUCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-2-8-17-13(19)10-20-14(17)16-15-12(18)9-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,15,18).
What are the key properties of N-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide?
N-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide has a molecular weight of 289.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide is sourced from PubChem (CID 3401477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).