N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide

C14H19N3O2S — CID 119310941

IUPACN-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(CCNC(=O)C1CSCN1)NCc1ccccc1
InChIInChI=1S/C14H19N3O2S/c18-13(16-8-11-4-2-1-3-5-11)6-7-15-14(19)12-9-20-10-17-12/h1-5,12,17H,6-10H2,(H,15,19)(H,16,18)
InChIKeyIRBVJWSPMPJABO-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.47
Rot. Bonds6

About N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide

N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119310941) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119310941
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(CCNC(=O)C1CSCN1)NCc1ccccc1
InChIInChI=1S/C14H19N3O2S/c18-13(16-8-11-4-2-1-3-5-11)6-7-15-14(19)12-9-20-10-17-12/h1-5,12,17H,6-10H2,(H,15,19)(H,16,18)
InChIKeyIRBVJWSPMPJABO-UHFFFAOYSA-N
XLogP0.47
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
CID 119310942
N-(2-naphthalen-1-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288849
N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110672368
N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793540
N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 113264034
N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide
CID 43553640
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 136811645
N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794499
(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 141124535
N-[3-(3-hydroxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide
CID 110667219
N-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide
CID 110661652

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide (CID 119310941) is N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide is O=C(CCNC(=O)C1CSCN1)NCc1ccccc1.
What is the InChIKey of N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is IRBVJWSPMPJABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c18-13(16-8-11-4-2-1-3-5-11)6-7-15-14(19)12-9-20-10-17-12/h1-5,12,17H,6-10H2,(H,15,19)(H,16,18).
What are the key properties of N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide?
N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119310941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).