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

C11H13N3O2S — CID 64896228

IUPACN-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESNCc1ccccc1NC(=O)C1CSC(=O)N1
InChIInChI=1S/C11H13N3O2S/c12-5-7-3-1-2-4-8(7)13-10(15)9-6-17-11(16)14-9/h1-4,9H,5-6,12H2,(H,13,15)(H,14,16)
InChIKeyJEORHXTWKZMYHA-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.91
Rot. Bonds3

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

N-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 64896228) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID64896228
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESNCc1ccccc1NC(=O)C1CSC(=O)N1
InChIInChI=1S/C11H13N3O2S/c12-5-7-3-1-2-4-8(7)13-10(15)9-6-17-11(16)14-9/h1-4,9H,5-6,12H2,(H,13,15)(H,14,16)
InChIKeyJEORHXTWKZMYHA-UHFFFAOYSA-N
XLogP0.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 64882512
N-[2-(1-hydroxyethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 54963556
N-[2-(aminomethyl)phenyl]thiolane-3-carboxamide
CID 64884692
N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide
CID 110482330
2-fluoro-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 43442838
N-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 43600078
N-[2-(aminomethyl)phenyl]oxane-4-carboxamide
CID 63754854
2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid
CID 65346582
3-fluoro-4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 63190046
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 60805013
(4S)-N-[(2S)-1-(2-bromophenyl)propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 97087809
N-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 107612421

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide (CID 64896228) is N-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide is NCc1ccccc1NC(=O)C1CSC(=O)N1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is JEORHXTWKZMYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c12-5-7-3-1-2-4-8(7)13-10(15)9-6-17-11(16)14-9/h1-4,9H,5-6,12H2,(H,13,15)(H,14,16).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
N-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 64896228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).