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

C10H20N2O2S — CID 61246752

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CC(CO)NC(=O)C1CSCN1
InChIInChI=1S/C10H20N2O2S/c1-7(2)3-8(4-13)12-10(14)9-5-15-6-11-9/h7-9,11,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyBMWPBIPPOSOUJG-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.17
Rot. Bonds5

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

N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 61246752) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID61246752
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CC(CO)NC(=O)C1CSCN1
InChIInChI=1S/C10H20N2O2S/c1-7(2)3-8(4-13)12-10(14)9-5-15-6-11-9/h7-9,11,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyBMWPBIPPOSOUJG-UHFFFAOYSA-N
XLogP0.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 107222336
N-(1-hydroxy-4-methylpentan-2-yl)pyrrolidine-2-carboxamide
CID 61246606
N-(4-hydroxybutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 83177193
N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide
CID 43707143
(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908
(4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 102046659
N-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 65036326
N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 104828221
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 164654399
N-(1-hydroxy-4-methylpentan-2-yl)cyclopropanecarboxamide
CID 61246468
N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119325433
N-[(1S)-1-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide
CID 81391197

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide (CID 61246752) is N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide is CC(C)CC(CO)NC(=O)C1CSCN1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is BMWPBIPPOSOUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-7(2)3-8(4-13)12-10(14)9-5-15-6-11-9/h7-9,11,13H,3-6H2,1-2H3,(H,12,14).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 232.35 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 61246752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).