N-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride

C8H17ClN2OS — CID 47002789

IUPACN-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCCCNC(=O)C1CSCN1.Cl
InChIInChI=1S/C8H16N2OS.ClH/c1-2-3-4-9-8(11)7-5-12-6-10-7;/h7,10H,2-6H2,1H3,(H,9,11);1H
InChIKeyCAISTFDBHBTZRI-UHFFFAOYSA-N
MW224.76 g/mol
LogP0.99
Rot. Bonds4

About N-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride

N-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 47002789) has the molecular formula C8H17ClN2OS and a molecular weight of 224.76 g/mol. Its IUPAC name is N-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID47002789
Molecular FormulaC8H17ClN2OS
Molecular Weight224.76 g/mol
Exact Mass224.08
IUPAC NameN-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCCCNC(=O)C1CSCN1.Cl
InChIInChI=1S/C8H16N2OS.ClH/c1-2-3-4-9-8(11)7-5-12-6-10-7;/h7,10H,2-6H2,1H3,(H,9,11);1H
InChIKeyCAISTFDBHBTZRI-UHFFFAOYSA-N
XLogP0.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.76
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 47002789) is N-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride is CCCCNC(=O)C1CSCN1.Cl.
What is the InChIKey of N-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is CAISTFDBHBTZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS.ClH/c1-2-3-4-9-8(11)7-5-12-6-10-7;/h7,10H,2-6H2,1H3,(H,9,11);1H.
What are the key properties of N-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 224.76 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 47002789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).