methyl 2-pentyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate

C15H21NO3S2 — CID 42729353

IUPACmethyl 2-pentyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCCCC1SCC(C(=O)OC)N1C(=O)c1cccs1
InChIInChI=1S/C15H21NO3S2/c1-3-4-5-8-13-16(11(10-21-13)15(18)19-2)14(17)12-7-6-9-20-12/h6-7,9,11,13H,3-5,8,10H2,1-2H3
InChIKeySVDDUDDRALDOOC-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.39
Rot. Bonds6

About methyl 2-pentyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate

methyl 2-pentyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 42729353) has the molecular formula C15H21NO3S2 and a molecular weight of 327.47 g/mol. Its IUPAC name is methyl 2-pentyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-pentyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
PubChem CID42729353
Molecular FormulaC15H21NO3S2
Molecular Weight327.47 g/mol
Exact Mass327.10
IUPAC Namemethyl 2-pentyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCCCC1SCC(C(=O)OC)N1C(=O)c1cccs1
InChIInChI=1S/C15H21NO3S2/c1-3-4-5-8-13-16(11(10-21-13)15(18)19-2)14(17)12-7-6-9-20-12/h6-7,9,11,13H,3-5,8,10H2,1-2H3
InChIKeySVDDUDDRALDOOC-UHFFFAOYSA-N
XLogP3.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-phenylethyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 42727810
methyl 3-(2,6-dimethoxybenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729387
methyl 3-(naphthalene-2-carbonyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729362
N-(4-methylphenyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 3881562
methyl 3-(4-pentylbenzoyl)-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylate
CID 42727813
methyl 3-(3,3-dimethylbutanoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729354
N-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 5029074
2-ethyl-N-(4-methylphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 42749142
N-butan-2-yl-2-ethyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 42749131
N-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744445
2-pentyl-3-(3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 42728675
2-pentyl-N-(2-phenylethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744456

Frequently Asked Questions

What is the IUPAC name of methyl 2-pentyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 2-pentyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate (CID 42729353) is methyl 2-pentyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-pentyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 2-pentyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate is CCCCCC1SCC(C(=O)OC)N1C(=O)c1cccs1.
What is the InChIKey of methyl 2-pentyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is SVDDUDDRALDOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S2/c1-3-4-5-8-13-16(11(10-21-13)15(18)19-2)14(17)12-7-6-9-20-12/h6-7,9,11,13H,3-5,8,10H2,1-2H3.
What are the key properties of methyl 2-pentyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate?
methyl 2-pentyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 327.47 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pentyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 42729353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).