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

C21H25NO3S — CID 42729362

IUPACmethyl 3-(naphthalene-2-carbonyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
SMILESCCCCCC1SCC(C(=O)OC)N1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H25NO3S/c1-3-4-5-10-19-22(18(14-26-19)21(24)25-2)20(23)17-12-11-15-8-6-7-9-16(15)13-17/h6-9,11-13,18-19H,3-5,10,14H2,1-2H3
InChIKeyISODWZPWDRNPBE-UHFFFAOYSA-N
MW371.50 g/mol
LogP4.48
Rot. Bonds6

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

methyl 3-(naphthalene-2-carbonyl)-2-pentyl-1,3-thiazolidine-4-carboxylate (PubChem CID 42729362) has the molecular formula C21H25NO3S and a molecular weight of 371.50 g/mol. Its IUPAC name is methyl 3-(naphthalene-2-carbonyl)-2-pentyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(naphthalene-2-carbonyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
PubChem CID42729362
Molecular FormulaC21H25NO3S
Molecular Weight371.50 g/mol
Exact Mass371.16
IUPAC Namemethyl 3-(naphthalene-2-carbonyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
SMILESCCCCCC1SCC(C(=O)OC)N1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H25NO3S/c1-3-4-5-10-19-22(18(14-26-19)21(24)25-2)20(23)17-12-11-15-8-6-7-9-16(15)13-17/h6-9,11-13,18-19H,3-5,10,14H2,1-2H3
InChIKeyISODWZPWDRNPBE-UHFFFAOYSA-N
XLogP4.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(3-fluorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729361
methyl 3-(3-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729383
methyl 3-(4-pentylbenzoyl)-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylate
CID 42727813
methyl 3-(2,6-dimethoxybenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729387
methyl 2-pentyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 42729353
butyl (2R,4R)-3-(naphthalene-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 7328067
3-(3,5-dimethoxybenzoyl)-N-ethoxy-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744474
methyl (2S,4R)-3-[2-(4-chlorophenoxy)acetyl]-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 93096262
2-pentyl-N-(2-phenylethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744456
methyl 3-(3,3-dimethylbutanoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729354
3-(3,5-dimethoxybenzoyl)-N-(3-methylbutan-2-yl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744473
N-tert-butyl-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 3349910

Frequently Asked Questions

What is the IUPAC name of methyl 3-(naphthalene-2-carbonyl)-2-pentyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 3-(naphthalene-2-carbonyl)-2-pentyl-1,3-thiazolidine-4-carboxylate (CID 42729362) is methyl 3-(naphthalene-2-carbonyl)-2-pentyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-(naphthalene-2-carbonyl)-2-pentyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 3-(naphthalene-2-carbonyl)-2-pentyl-1,3-thiazolidine-4-carboxylate is CCCCCC1SCC(C(=O)OC)N1C(=O)c1ccc2ccccc2c1.
What is the InChIKey of methyl 3-(naphthalene-2-carbonyl)-2-pentyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is ISODWZPWDRNPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3S/c1-3-4-5-10-19-22(18(14-26-19)21(24)25-2)20(23)17-12-11-15-8-6-7-9-16(15)13-17/h6-9,11-13,18-19H,3-5,10,14H2,1-2H3.
What are the key properties of methyl 3-(naphthalene-2-carbonyl)-2-pentyl-1,3-thiazolidine-4-carboxylate?
methyl 3-(naphthalene-2-carbonyl)-2-pentyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 371.50 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(naphthalene-2-carbonyl)-2-pentyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 42729362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).