N-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide

C20H24N2O2S2 — CID 5029074

IUPACN-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCC1SCC(C(=O)NC(C)c2ccccc2)N1C(=O)c1cccs1
InChIInChI=1S/C20H24N2O2S2/c1-3-8-18-22(20(24)17-11-7-12-25-17)16(13-26-18)19(23)21-14(2)15-9-5-4-6-10-15/h4-7,9-12,14,16,18H,3,8,13H2,1-2H3,(H,21,23)
InChIKeyBTHUHHLHIMGLFK-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.31
Rot. Bonds6

About N-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide

N-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 5029074) has the molecular formula C20H24N2O2S2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID5029074
Molecular FormulaC20H24N2O2S2
Molecular Weight388.56 g/mol
Exact Mass388.13
IUPAC NameN-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCC1SCC(C(=O)NC(C)c2ccccc2)N1C(=O)c1cccs1
InChIInChI=1S/C20H24N2O2S2/c1-3-8-18-22(20(24)17-11-7-12-25-17)16(13-26-18)19(23)21-14(2)15-9-5-4-6-10-15/h4-7,9-12,14,16,18H,3,8,13H2,1-2H3,(H,21,23)
InChIKeyBTHUHHLHIMGLFK-UHFFFAOYSA-N
XLogP4.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

N-butan-2-yl-2-ethyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 42749131
N-(4-methylphenyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 3881562
methyl 2-pentyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 42729353
methyl 2-(2-phenylethyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 42727810
3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 3951099
2-ethyl-N-(4-methylphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 42749142
N-(2-fluorophenyl)-2-(2-methylpropyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 3663771
3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 42744256
2-propyl-3-(1-thiophen-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63779950
N-butan-2-yl-2-(furan-3-yl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 42745033
2-ethyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780542
N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 18191699

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 5029074) is N-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide is CCCC1SCC(C(=O)NC(C)c2ccccc2)N1C(=O)c1cccs1.
What is the InChIKey of N-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is BTHUHHLHIMGLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S2/c1-3-8-18-22(20(24)17-11-7-12-25-17)16(13-26-18)19(23)21-14(2)15-9-5-4-6-10-15/h4-7,9-12,14,16,18H,3,8,13H2,1-2H3,(H,21,23).
What are the key properties of N-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
N-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 5029074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).