N-(3-aminopropyl)-N-benzyl-3-propanoyl-1,3-thiazolidine-4-carboxamide

C17H25N3O2S — CID 120649915

IUPACN-(3-aminopropyl)-N-benzyl-3-propanoyl-1,3-thiazolidine-4-carboxamide
SMILESCCC(=O)N1CSCC1C(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C17H25N3O2S/c1-2-16(21)20-13-23-12-15(20)17(22)19(10-6-9-18)11-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13,18H2,1H3
InChIKeyQRIFEXKFNGOULF-UHFFFAOYSA-N
MW335.47 g/mol
LogP1.68
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-3-propanoyl-1,3-thiazolidine-4-carboxamide

N-(3-aminopropyl)-N-benzyl-3-propanoyl-1,3-thiazolidine-4-carboxamide (PubChem CID 120649915) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-3-propanoyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-3-propanoyl-1,3-thiazolidine-4-carboxamide
PubChem CID120649915
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-(3-aminopropyl)-N-benzyl-3-propanoyl-1,3-thiazolidine-4-carboxamide
SMILESCCC(=O)N1CSCC1C(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C17H25N3O2S/c1-2-16(21)20-13-23-12-15(20)17(22)19(10-6-9-18)11-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13,18H2,1H3
InChIKeyQRIFEXKFNGOULF-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-3-propanoyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-3-propanoyl-1,3-thiazolidine-4-carboxamide (CID 120649915) is N-(3-aminopropyl)-N-benzyl-3-propanoyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-3-propanoyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-3-propanoyl-1,3-thiazolidine-4-carboxamide is CCC(=O)N1CSCC1C(=O)N(CCCN)Cc1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-3-propanoyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is QRIFEXKFNGOULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-2-16(21)20-13-23-12-15(20)17(22)19(10-6-9-18)11-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13,18H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-3-propanoyl-1,3-thiazolidine-4-carboxamide?
N-(3-aminopropyl)-N-benzyl-3-propanoyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-3-propanoyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 120649915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).