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

C8H17ClN2OS — CID 47003078

IUPACN-tert-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)C1CSCN1.Cl
InChIInChI=1S/C8H16N2OS.ClH/c1-8(2,3)10-7(11)6-4-12-5-9-6;/h6,9H,4-5H2,1-3H3,(H,10,11);1H
InChIKeyLRNHQPAMENMVEG-UHFFFAOYSA-N
MW224.76 g/mol
LogP0.99
Rot. Bonds1

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

N-tert-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 47003078) has the molecular formula C8H17ClN2OS and a molecular weight of 224.76 g/mol. Its IUPAC name is N-tert-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-tert-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID47003078
Molecular FormulaC8H17ClN2OS
Molecular Weight224.76 g/mol
Exact Mass224.08
IUPAC NameN-tert-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)C1CSCN1.Cl
InChIInChI=1S/C8H16N2OS.ClH/c1-8(2,3)10-7(11)6-4-12-5-9-6;/h6,9H,4-5H2,1-3H3,(H,10,11);1H
InChIKeyLRNHQPAMENMVEG-UHFFFAOYSA-N
XLogP0.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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

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Related Compounds

(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908
N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 104828221
N-[2-(dimethylamino)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119830630
(4S)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119343824
(4S)-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidine-4-carboxamide
CID 119327774
ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride
CID 119279987
(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119268318
N-(4-tert-butylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24691196
N-(3,5-dimethylcyclohexyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119327543
N-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 43699491
N-(4-methoxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 119334794
N-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119042537

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-tert-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 47003078) is N-tert-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-tert-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-tert-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride is CC(C)(C)NC(=O)C1CSCN1.Cl.
What is the InChIKey of N-tert-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is LRNHQPAMENMVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS.ClH/c1-8(2,3)10-7(11)6-4-12-5-9-6;/h6,9H,4-5H2,1-3H3,(H,10,11);1H.
What are the key properties of N-tert-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-tert-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 224.76 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 47003078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).