methyl 3-(1,3-thiazolidine-4-carbonylamino)-3-thiophen-2-ylpropanoate

C12H16N2O3S2 — CID 43709882

IUPACmethyl 3-(1,3-thiazolidine-4-carbonylamino)-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC(=O)C1CSCN1)c1cccs1
InChIInChI=1S/C12H16N2O3S2/c1-17-11(15)5-8(10-3-2-4-19-10)14-12(16)9-6-18-7-13-9/h2-4,8-9,13H,5-7H2,1H3,(H,14,16)
InChIKeyZVQSFBPQCLJRCA-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.13
Rot. Bonds5

About methyl 3-(1,3-thiazolidine-4-carbonylamino)-3-thiophen-2-ylpropanoate

methyl 3-(1,3-thiazolidine-4-carbonylamino)-3-thiophen-2-ylpropanoate (PubChem CID 43709882) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is methyl 3-(1,3-thiazolidine-4-carbonylamino)-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-(1,3-thiazolidine-4-carbonylamino)-3-thiophen-2-ylpropanoate
PubChem CID43709882
Molecular FormulaC12H16N2O3S2
Molecular Weight300.41 g/mol
Exact Mass300.06
IUPAC Namemethyl 3-(1,3-thiazolidine-4-carbonylamino)-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC(=O)C1CSCN1)c1cccs1
InChIInChI=1S/C12H16N2O3S2/c1-17-11(15)5-8(10-3-2-4-19-10)14-12(16)9-6-18-7-13-9/h2-4,8-9,13H,5-7H2,1H3,(H,14,16)
InChIKeyZVQSFBPQCLJRCA-UHFFFAOYSA-N
XLogP1.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(piperidine-4-carbonylamino)-3-thiophen-2-ylpropanoate
CID 43709862
methyl 3-[(4-methylpyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 63714612
methyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate
CID 66009978
methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate
CID 103439049
methyl 3-(3,4-dihydro-2H-chromene-3-carbonylamino)-3-thiophen-2-ylpropanoate
CID 46534361
methyl 3-(2-bromopropanoylamino)-3-thiophen-2-ylpropanoate
CID 107903839
methyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate
CID 43725040
methyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 86917257
methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
CID 46493250
methyl 3-(but-2-enoylamino)-3-thiophen-2-ylpropanoate
CID 112723868
3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897987
methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-3-thiophen-2-ylpropanoate
CID 47019230

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,3-thiazolidine-4-carbonylamino)-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-(1,3-thiazolidine-4-carbonylamino)-3-thiophen-2-ylpropanoate (CID 43709882) is methyl 3-(1,3-thiazolidine-4-carbonylamino)-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-(1,3-thiazolidine-4-carbonylamino)-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-(1,3-thiazolidine-4-carbonylamino)-3-thiophen-2-ylpropanoate is COC(=O)CC(NC(=O)C1CSCN1)c1cccs1.
What is the InChIKey of methyl 3-(1,3-thiazolidine-4-carbonylamino)-3-thiophen-2-ylpropanoate?
The InChIKey is ZVQSFBPQCLJRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S2/c1-17-11(15)5-8(10-3-2-4-19-10)14-12(16)9-6-18-7-13-9/h2-4,8-9,13H,5-7H2,1H3,(H,14,16).
What are the key properties of methyl 3-(1,3-thiazolidine-4-carbonylamino)-3-thiophen-2-ylpropanoate?
methyl 3-(1,3-thiazolidine-4-carbonylamino)-3-thiophen-2-ylpropanoate has a molecular weight of 300.41 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,3-thiazolidine-4-carbonylamino)-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 43709882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).