N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide

C10H20N2OS — CID 104828221

IUPACN-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC(NC(=O)C1CSCN1)C(C)(C)C
InChIInChI=1S/C10H20N2OS/c1-7(10(2,3)4)12-9(13)8-5-14-6-11-8/h7-8,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyTXPMZOCYWDKEQT-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.20
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide

N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 104828221) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID104828221
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC(NC(=O)C1CSCN1)C(C)(C)C
InChIInChI=1S/C10H20N2OS/c1-7(10(2,3)4)12-9(13)8-5-14-6-11-8/h7-8,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyTXPMZOCYWDKEQT-UHFFFAOYSA-N
XLogP1.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.20
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-(4-methoxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 119334794
methyl 3-methyl-2-(1,3-thiazolidine-4-carbonylamino)butanoate
CID 60780380
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 164654399
N-(4-hydroxybutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 83177193
N-[(1S)-1-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide
CID 81391197
N-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 43699491
N-tert-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003078
N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide
CID 114240215
N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119325433
N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 61246752
N-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 107222336

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide (CID 104828221) is N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide is CC(NC(=O)C1CSCN1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is TXPMZOCYWDKEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-7(10(2,3)4)12-9(13)8-5-14-6-11-8/h7-8,11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 216.35 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 104828221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).