N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-(propylamino)acetamide

C19H22N4O2S2 — CID 134148163

IUPACN-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1ccc(/N=C2\SCC(=O)N2Cc2cccs2)cc1
InChIInChI=1S/C19H22N4O2S2/c1-2-9-20-11-17(24)21-14-5-7-15(8-6-14)22-19-23(18(25)13-27-19)12-16-4-3-10-26-16/h3-8,10,20H,2,9,11-13H2,1H3,(H,21,24)/b22-19-
InChIKeyGHLSFYKZNYTHHX-QOCHGBHMSA-N
MW402.55 g/mol
LogP3.45
Rot. Bonds8

About N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-(propylamino)acetamide

N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-(propylamino)acetamide (PubChem CID 134148163) has the molecular formula C19H22N4O2S2 and a molecular weight of 402.55 g/mol. Its IUPAC name is N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-(propylamino)acetamide
PubChem CID134148163
Molecular FormulaC19H22N4O2S2
Molecular Weight402.55 g/mol
Exact Mass402.12
IUPAC NameN-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1ccc(/N=C2\SCC(=O)N2Cc2cccs2)cc1
InChIInChI=1S/C19H22N4O2S2/c1-2-9-20-11-17(24)21-14-5-7-15(8-6-14)22-19-23(18(25)13-27-19)12-16-4-3-10-26-16/h3-8,10,20H,2,9,11-13H2,1H3,(H,21,24)/b22-19-
InChIKeyGHLSFYKZNYTHHX-QOCHGBHMSA-N
XLogP3.45
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-(propylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide
CID 2450658
N-[4-(diethylamino)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 4796551
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 3195205
1-Phenyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one
CID 16025727
4-(4-acetyl-1-piperazinyl)-N-(2-thienylmethyl)aniline
CID 977038
2-Phenylamino-3-thiophen-2-ylmethyl-3,5-dihydro-imidazol-4-one
CID 9549457
2-(4-methylpiperazin-1-yl)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 134137352
N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-thiomorpholin-4-ylacetamide
CID 134138822
N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-piperidin-1-ylacetamide
CID 134140797
2-(ethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 134144269
2-(dimethylamino)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 134150591
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 134153646

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-(propylamino)acetamide?
The IUPAC name of N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-(propylamino)acetamide (CID 134148163) is N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-(propylamino)acetamide.
What is the SMILES notation for N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-(propylamino)acetamide?
The canonical SMILES for N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-(propylamino)acetamide is CCCNCC(=O)Nc1ccc(/N=C2\SCC(=O)N2Cc2cccs2)cc1.
What is the InChIKey of N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-(propylamino)acetamide?
The InChIKey is GHLSFYKZNYTHHX-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H22N4O2S2/c1-2-9-20-11-17(24)21-14-5-7-15(8-6-14)22-19-23(18(25)13-27-19)12-16-4-3-10-26-16/h3-8,10,20H,2,9,11-13H2,1H3,(H,21,24)/b22-19-.
What are the key properties of N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-(propylamino)acetamide?
N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-(propylamino)acetamide has a molecular weight of 402.55 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]-2-(propylamino)acetamide is sourced from PubChem (CID 134148163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).