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

C8H17N3OS — CID 61276051

IUPACN-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide
SMILESNCCCCNC(=O)C1CSCN1
InChIInChI=1S/C8H17N3OS/c9-3-1-2-4-10-8(12)7-5-13-6-11-7/h7,11H,1-6,9H2,(H,10,12)
InChIKeySEWWHGRDFMUSIQ-UHFFFAOYSA-N
MW203.31 g/mol
LogP-0.50
Rot. Bonds5

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

N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 61276051) has the molecular formula C8H17N3OS and a molecular weight of 203.31 g/mol. Its IUPAC name is N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide
PubChem CID61276051
Molecular FormulaC8H17N3OS
Molecular Weight203.31 g/mol
Exact Mass203.11
IUPAC NameN-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide
SMILESNCCCCNC(=O)C1CSCN1
InChIInChI=1S/C8H17N3OS/c9-3-1-2-4-10-8(12)7-5-13-6-11-7/h7,11H,1-6,9H2,(H,10,12)
InChIKeySEWWHGRDFMUSIQ-UHFFFAOYSA-N
XLogP-0.50
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyclopentylbutyl)-1,3-thiazolidine-4-carboxamide
CID 119327705
N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide
CID 43553640
methyl (2S)-2-amino-6-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]hexanoate
CID 132961566
N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide
CID 154729350
[(1R)-1-amino-5-(1,3-thiazolidine-4-carbonylamino)pentyl] formate
CID 89403467
(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119268318
N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide
CID 115734124
2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid
CID 171381409
N-[2-(diethylamino)ethyl]-1,3-thiazolidine-4-carboxamide
CID 24692990
(4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 93356367
N-[4-(4-chloroanilino)-4-oxobutyl]-1,3-thiazolidine-4-carboxamide
CID 119297727

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide (CID 61276051) is N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide is NCCCCNC(=O)C1CSCN1.
What is the InChIKey of N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is SEWWHGRDFMUSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3OS/c9-3-1-2-4-10-8(12)7-5-13-6-11-7/h7,11H,1-6,9H2,(H,10,12).
What are the key properties of N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide?
N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 203.31 g/mol, XLogP of -0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 61276051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).