N-[2-(diethylaminomethyl)phenyl]-1,3-thiazolidine-4-carboxamide

C15H23N3OS — CID 43712493

IUPACN-[2-(diethylaminomethyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC)Cc1ccccc1NC(=O)C1CSCN1
InChIInChI=1S/C15H23N3OS/c1-3-18(4-2)9-12-7-5-6-8-13(12)17-15(19)14-10-20-11-16-14/h5-8,14,16H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyTWTIKOAKBTZOEC-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(diethylaminomethyl)phenyl]-1,3-thiazolidine-4-carboxamide

N-[2-(diethylaminomethyl)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 43712493) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[2-(diethylaminomethyl)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylaminomethyl)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID43712493
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-[2-(diethylaminomethyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC)Cc1ccccc1NC(=O)C1CSCN1
InChIInChI=1S/C15H23N3OS/c1-3-18(4-2)9-12-7-5-6-8-13(12)17-15(19)14-10-20-11-16-14/h5-8,14,16H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyTWTIKOAKBTZOEC-UHFFFAOYSA-N
XLogP2.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43703955
N-[2-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43712468
N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 67513883
N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43702716
N-[2-(propylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 24707378
N-(4-bromo-2-ethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 81291659
N-(2-phenylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24694917
(4S)-N-(2-chlorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261984
(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 141124535
N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261895
N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 79602563
N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 103479490

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylaminomethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(diethylaminomethyl)phenyl]-1,3-thiazolidine-4-carboxamide (CID 43712493) is N-[2-(diethylaminomethyl)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylaminomethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(diethylaminomethyl)phenyl]-1,3-thiazolidine-4-carboxamide is CCN(CC)Cc1ccccc1NC(=O)C1CSCN1.
What is the InChIKey of N-[2-(diethylaminomethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is TWTIKOAKBTZOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-3-18(4-2)9-12-7-5-6-8-13(12)17-15(19)14-10-20-11-16-14/h5-8,14,16H,3-4,9-11H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(diethylaminomethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
N-[2-(diethylaminomethyl)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 293.44 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylaminomethyl)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43712493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).