ethyl 2-[(2-thiophen-2-yl-1,3-thiazolidine-3-carbonyl)amino]acetate

C12H16N2O3S2 — CID 4058065

IUPACethyl 2-[(2-thiophen-2-yl-1,3-thiazolidine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCSC1c1cccs1
InChIInChI=1S/C12H16N2O3S2/c1-2-17-10(15)8-13-12(16)14-5-7-19-11(14)9-4-3-6-18-9/h3-4,6,11H,2,5,7-8H2,1H3,(H,13,16)
InChIKeyDUVZHOBNFVZIBT-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.07
Rot. Bonds4

About ethyl 2-[(2-thiophen-2-yl-1,3-thiazolidine-3-carbonyl)amino]acetate

ethyl 2-[(2-thiophen-2-yl-1,3-thiazolidine-3-carbonyl)amino]acetate (PubChem CID 4058065) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is ethyl 2-[(2-thiophen-2-yl-1,3-thiazolidine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-thiophen-2-yl-1,3-thiazolidine-3-carbonyl)amino]acetate
PubChem CID4058065
Molecular FormulaC12H16N2O3S2
Molecular Weight300.41 g/mol
Exact Mass300.06
IUPAC Nameethyl 2-[(2-thiophen-2-yl-1,3-thiazolidine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCSC1c1cccs1
InChIInChI=1S/C12H16N2O3S2/c1-2-17-10(15)8-13-12(16)14-5-7-19-11(14)9-4-3-6-18-9/h3-4,6,11H,2,5,7-8H2,1H3,(H,13,16)
InChIKeyDUVZHOBNFVZIBT-UHFFFAOYSA-N
XLogP2.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(2-thiophen-2-yl-1,3-thiazolidine-3-carbonyl)amino]acetate with MolForge

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Related Compounds

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-(carbamoylamino)propanoate
CID 2448225
methyl N-[(thiophen-2-ylmethyl)carbamoyl]-L-valinate
CID 663465
ethyl N-{[cyclohexyl(thien-2-ylmethyl)amino]carbonothioyl}glycinate
CID 5207529
1-[3-(Morpholin-4-YL)propyl]-3-[2-oxo-2-(pyrrolidin-1-YL)ethyl]-1-[(thiophen-2-YL)methyl]thiourea
CID 16193093
Ethyl 2-({[3-(pyrrolidin-1-YL)propyl][(thiophen-2-YL)methyl]carbamothioyl}amino)acetate
CID 16193542
[2-[Methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(carbamoylamino)acetate
CID 2554358
ethyl N-{[cyclopentyl(thien-2-ylmethyl)amino]carbonothioyl}glycinate
CID 3291314
methyl N-[(thiophen-2-ylmethyl)carbamoyl]-L-methioninate
CID 663481
N,N-Diethyl-2-({[3-(morpholin-4-YL)propyl][(thiophen-2-YL)methyl]carbamothioyl}amino)acetamide
CID 12004842
Ethyl 2-({[3-(azepan-1-YL)propyl][(thiophen-2-YL)methyl]carbamothioyl}amino)acetate
CID 16193559
Ethyl 2-({[3-(piperidin-1-YL)propyl][(thiophen-2-YL)methyl]carbamothioyl}amino)acetate
CID 16193588
Ethyl 2-({[3-(4-methylpiperazin-1-YL)propyl][(thiophen-2-YL)methyl]carbamothioyl}amino)acetate
CID 24761484

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-thiophen-2-yl-1,3-thiazolidine-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-thiophen-2-yl-1,3-thiazolidine-3-carbonyl)amino]acetate (CID 4058065) is ethyl 2-[(2-thiophen-2-yl-1,3-thiazolidine-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-thiophen-2-yl-1,3-thiazolidine-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-thiophen-2-yl-1,3-thiazolidine-3-carbonyl)amino]acetate is CCOC(=O)CNC(=O)N1CCSC1c1cccs1.
What is the InChIKey of ethyl 2-[(2-thiophen-2-yl-1,3-thiazolidine-3-carbonyl)amino]acetate?
The InChIKey is DUVZHOBNFVZIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S2/c1-2-17-10(15)8-13-12(16)14-5-7-19-11(14)9-4-3-6-18-9/h3-4,6,11H,2,5,7-8H2,1H3,(H,13,16).
What are the key properties of ethyl 2-[(2-thiophen-2-yl-1,3-thiazolidine-3-carbonyl)amino]acetate?
ethyl 2-[(2-thiophen-2-yl-1,3-thiazolidine-3-carbonyl)amino]acetate has a molecular weight of 300.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-thiophen-2-yl-1,3-thiazolidine-3-carbonyl)amino]acetate is sourced from PubChem (CID 4058065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).