N-(2-amino-2-phenylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride

C17H26ClN3O2S — CID 119529034

IUPACN-(2-amino-2-phenylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCCCC(=O)N1CSCC1C(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C17H25N3O2S.ClH/c1-2-3-9-16(21)20-12-23-11-15(20)17(22)19-10-14(18)13-7-5-4-6-8-13;/h4-8,14-15H,2-3,9-12,18H2,1H3,(H,19,22);1H
InChIKeyKTFCAPIGXLFFQW-UHFFFAOYSA-N
MW371.93 g/mol
LogP2.32
Rot. Bonds7

About N-(2-amino-2-phenylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride

N-(2-amino-2-phenylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119529034) has the molecular formula C17H26ClN3O2S and a molecular weight of 371.93 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119529034
Molecular FormulaC17H26ClN3O2S
Molecular Weight371.93 g/mol
Exact Mass371.14
IUPAC NameN-(2-amino-2-phenylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCCCC(=O)N1CSCC1C(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C17H25N3O2S.ClH/c1-2-3-9-16(21)20-12-23-11-15(20)17(22)19-10-14(18)13-7-5-4-6-8-13;/h4-8,14-15H,2-3,9-12,18H2,1H3,(H,19,22);1H
InChIKeyKTFCAPIGXLFFQW-UHFFFAOYSA-N
XLogP2.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.93
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
N-(furan-2-ylmethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide
CID 42744735
(4R)-N-[(3-methoxyphenyl)methyl]-3-pentanoyl-1,3-thiazolidine-4-carboxamide
CID 95737503
N-(2-amino-2-phenylethyl)hexanamide
CID 55225513
N-(2-amino-2-phenylethyl)-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119527737
3-[3-(2-fluorophenyl)sulfanylpropanoyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 60609210
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 119255264
4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229835
butyl 3-(2-phenylsulfanylacetyl)-1,3-thiazolidine-4-carboxylate
CID 42744501
3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119536892
7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid
CID 119227531

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119529034) is N-(2-amino-2-phenylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride is CCCCC(=O)N1CSCC1C(=O)NCC(N)c1ccccc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is KTFCAPIGXLFFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S.ClH/c1-2-3-9-16(21)20-12-23-11-15(20)17(22)19-10-14(18)13-7-5-4-6-8-13;/h4-8,14-15H,2-3,9-12,18H2,1H3,(H,19,22);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-(2-amino-2-phenylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 371.93 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119529034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).