N-(2-aminoethyl)-N-(2-phenylethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide

C17H25N3O2S — CID 120884710

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
SMILESCCC(=O)N1CSCC1C(=O)N(CCN)CCc1ccccc1
InChIInChI=1S/C17H25N3O2S/c1-2-16(21)20-13-23-12-15(20)17(22)19(11-9-18)10-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13,18H2,1H3
InChIKeyPNWDYNMEJYJVQT-UHFFFAOYSA-N
MW335.47 g/mol
LogP1.33
Rot. Bonds7

About N-(2-aminoethyl)-N-(2-phenylethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide

N-(2-aminoethyl)-N-(2-phenylethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide (PubChem CID 120884710) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
PubChem CID120884710
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
SMILESCCC(=O)N1CSCC1C(=O)N(CCN)CCc1ccccc1
InChIInChI=1S/C17H25N3O2S/c1-2-16(21)20-13-23-12-15(20)17(22)19(11-9-18)10-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13,18H2,1H3
InChIKeyPNWDYNMEJYJVQT-UHFFFAOYSA-N
XLogP1.33
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 120649915
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride
CID 120885911
methyl 3-benzyl-1,3-thiazolidine-4-carboxylate;3-propanoyl-1,3-thiazolidine-4-carboxylic acid
CID 159766642
N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
CID 120886157
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 120884652
N-(2-aminoethyl)-5-ethyl-N-(2-phenylethyl)oxolane-2-carboxamide
CID 120886926
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide;dihydrochloride
CID 120884651
4-N-(2-aminoethyl)-1-N,1-N-dimethyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 120885596
N-(2-aminoethyl)-4-ethyl-N-(2-phenylethyl)morpholine-2-carboxamide
CID 120885712
N-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide
CID 120886262
N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride
CID 120885269

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide (CID 120884710) is N-(2-aminoethyl)-N-(2-phenylethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide is CCC(=O)N1CSCC1C(=O)N(CCN)CCc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is PNWDYNMEJYJVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-2-16(21)20-13-23-12-15(20)17(22)19(11-9-18)10-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13,18H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
N-(2-aminoethyl)-N-(2-phenylethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 120884710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).