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

C11H22N2O2S — CID 119334794

IUPACN-(4-methoxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCOC(C)(C)CC(C)NC(=O)C1CSCN1
InChIInChI=1S/C11H22N2O2S/c1-8(5-11(2,3)15-4)13-10(14)9-6-16-7-12-9/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyHXAMFXDKKIMUMH-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.97
Rot. Bonds5

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

N-(4-methoxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 119334794) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID119334794
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCOC(C)(C)CC(C)NC(=O)C1CSCN1
InChIInChI=1S/C11H22N2O2S/c1-8(5-11(2,3)15-4)13-10(14)9-6-16-7-12-9/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyHXAMFXDKKIMUMH-UHFFFAOYSA-N
XLogP0.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxybutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 83177193
4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119803231
N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 104828221
N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119325433
(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908
N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 115734458
methyl 3-methyl-2-(1,3-thiazolidine-4-carbonylamino)butanoate
CID 60780380
methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate
CID 119281420
N-[(1S)-1-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide
CID 81391197
N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288084
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 164654399
N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 61246752

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide (CID 119334794) is N-(4-methoxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide is COC(C)(C)CC(C)NC(=O)C1CSCN1.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is HXAMFXDKKIMUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-8(5-11(2,3)15-4)13-10(14)9-6-16-7-12-9/h8-9,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide?
N-(4-methoxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 246.38 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119334794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).