N-(2-aminoethyl)-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide

C7H13N3O2S — CID 62686799

IUPACN-(2-aminoethyl)-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCN(CCN)C(=O)C1CSC(=O)N1
InChIInChI=1S/C7H13N3O2S/c1-10(3-2-8)6(11)5-4-13-7(12)9-5/h5H,2-4,8H2,1H3,(H,9,12)
InChIKeyDHKAYTVDILQYRW-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.77
Rot. Bonds3

About N-(2-aminoethyl)-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide

N-(2-aminoethyl)-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 62686799) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID62686799
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC NameN-(2-aminoethyl)-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCN(CCN)C(=O)C1CSC(=O)N1
InChIInChI=1S/C7H13N3O2S/c1-10(3-2-8)6(11)5-4-13-7(12)9-5/h5H,2-4,8H2,1H3,(H,9,12)
InChIKeyDHKAYTVDILQYRW-UHFFFAOYSA-N
XLogP-0.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 43211125
methyl 2-methyl-3-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]propanoate
CID 55008549
N-[(4-bromophenyl)methyl]-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide
CID 60864977
N-methyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 106627305
3-[(2-oxo-1,3-thiazolidine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 60831231
(2R)-N-(3-aminopropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 103807278
2-[butan-2-yl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 60828880
2-[cyclopentyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 60826938
N-(2-aminoethyl)-N-methylcyclooctanecarboxamide
CID 65019367
N-(1-aminobutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65193356
N-cyclopropyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 106626889
(4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 119634263

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide (CID 62686799) is N-(2-aminoethyl)-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide is CN(CCN)C(=O)C1CSC(=O)N1.
What is the InChIKey of N-(2-aminoethyl)-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is DHKAYTVDILQYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-10(3-2-8)6(11)5-4-13-7(12)9-5/h5H,2-4,8H2,1H3,(H,9,12).
What are the key properties of N-(2-aminoethyl)-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(2-aminoethyl)-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 203.27 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 62686799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).