ethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate

C14H16N2O3S2 — CID 37258646

IUPACethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C14H16N2O3S2/c1-2-19-12(17)6-3-7-15-13(18)10-9-21-14(16-10)11-5-4-8-20-11/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,18)
InChIKeySACCDJFLEQHADP-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.94
Rot. Bonds7

About ethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate

ethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate (PubChem CID 37258646) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is ethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate
PubChem CID37258646
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Nameethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C14H16N2O3S2/c1-2-19-12(17)6-3-7-15-13(18)10-9-21-14(16-10)11-5-4-8-20-11/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,18)
InChIKeySACCDJFLEQHADP-UHFFFAOYSA-N
XLogP2.94
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate 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

N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453
N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55536744
N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 82723620
N-(2-methylbutan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46554707
N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70756855
N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 107260979
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 111481518
(3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 18099994
N-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 115620129
N-[3-(2-oxoazepan-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46537541
N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9047021
N-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 78956758

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate?
The IUPAC name of ethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate (CID 37258646) is ethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate is CCOC(=O)CCCNC(=O)c1csc(-c2cccs2)n1.
What is the InChIKey of ethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate?
The InChIKey is SACCDJFLEQHADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-2-19-12(17)6-3-7-15-13(18)10-9-21-14(16-10)11-5-4-8-20-11/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,18).
What are the key properties of ethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate?
ethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate has a molecular weight of 324.43 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate is sourced from PubChem (CID 37258646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).