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

C8H15N3O2S — CID 63253701

IUPACN-(3-aminobutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCC(N)CCNC(=O)C1CSC(=O)N1
InChIInChI=1S/C8H15N3O2S/c1-5(9)2-3-10-7(12)6-4-14-8(13)11-6/h5-6H,2-4,9H2,1H3,(H,10,12)(H,11,13)
InChIKeyVFBHJBYOYJIJCS-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.34
Rot. Bonds4

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

N-(3-aminobutyl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 63253701) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID63253701
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-(3-aminobutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCC(N)CCNC(=O)C1CSC(=O)N1
InChIInChI=1S/C8H15N3O2S/c1-5(9)2-3-10-7(12)6-4-14-8(13)11-6/h5-6H,2-4,9H2,1H3,(H,10,12)(H,11,13)
InChIKeyVFBHJBYOYJIJCS-UHFFFAOYSA-N
XLogP-0.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.34
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

2-methyl-4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]butanoic acid
CID 80539296
ethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate
CID 60817082
4,4-dimethyl-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]hexanoic acid
CID 65284544
N-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 130977762
N-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65109815
N-(2-azidoethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 61342320
2-oxo-N-pent-4-yn-2-yl-1,3-thiazolidine-4-carboxamide
CID 115668999
N-(1-aminobutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65193356
2-oxo-N-(2-piperidin-4-yloxyethyl)-1,3-thiazolidine-4-carboxamide
CID 55250991
(4R)-N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119608653
(4R)-N-(1-amino-2,4-dimethylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 119600037
N-[(2S)-1-hydroxybutan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 104981103

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-aminobutyl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 63253701) is N-(3-aminobutyl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-2-oxo-1,3-thiazolidine-4-carboxamide is CC(N)CCNC(=O)C1CSC(=O)N1.
What is the InChIKey of N-(3-aminobutyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is VFBHJBYOYJIJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-5(9)2-3-10-7(12)6-4-14-8(13)11-6/h5-6H,2-4,9H2,1H3,(H,10,12)(H,11,13).
What are the key properties of N-(3-aminobutyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(3-aminobutyl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 217.29 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 63253701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).