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

C10H18N2O3S — CID 61245936

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CC(CO)NC(=O)C1CSC(=O)N1
InChIInChI=1S/C10H18N2O3S/c1-6(2)3-7(4-13)11-9(14)8-5-16-10(15)12-8/h6-8,13H,3-5H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyJHUVVJHLVACLOE-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.33
Rot. Bonds5

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

N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 61245936) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID61245936
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CC(CO)NC(=O)C1CSC(=O)N1
InChIInChI=1S/C10H18N2O3S/c1-6(2)3-7(4-13)11-9(14)8-5-16-10(15)12-8/h6-8,13H,3-5H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyJHUVVJHLVACLOE-UHFFFAOYSA-N
XLogP0.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

H-Val-Ala-Met-Pro-ol
CID 176468812
2-Amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(methylsulfanyl)propan-1-one
CID 146050083
[(2S)-4-methyl-2-[[(4R)-5-methyl-2-oxo-1,3-thiazolidine-4-carbonyl]amino]pentyl] nitrate
CID 9836122
[(2S)-4-methyl-2-[[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]pentyl] nitrate
CID 9943893
(2S)-2-acetamido-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-4-methylpentanamide
CID 18659588
(2S)-4-methyl-2-[[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]pentanoic acid
CID 20719107
(4R)-N-[(1S)-1-Methyl-2-hydroxyethyl]-2-oxothiazolidin-4-yl-carboxamide
CID 21309140
2-(4-Hydroxy-2-oxo-5-propyl-1,3-thiazolidin-3-yl)propanamide
CID 25116147
(2S)-3-methyl-2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]butanoic acid
CID 39258833
ThzLeu
CID 39259773
(2S,3S)-3-methyl-2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]pentanoic acid
CID 53936155
(2S)-3-methyl-2-(1,3-thiazolidine-4-carbonylamino)butanoic acid
CID 54217962

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 61245936) is N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide is CC(C)CC(CO)NC(=O)C1CSC(=O)N1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is JHUVVJHLVACLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-6(2)3-7(4-13)11-9(14)8-5-16-10(15)12-8/h6-8,13H,3-5H2,1-2H3,(H,11,14)(H,12,15).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 246.33 g/mol, XLogP of 0.33, 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)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 61245936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).