N-[(2S)-1-hydroxybutan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide

C8H14N2O3S — CID 104981103

IUPACN-[(2S)-1-hydroxybutan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCC[C@@H](CO)NC(=O)C1CSC(=O)N1
InChIInChI=1S/C8H14N2O3S/c1-2-5(3-11)9-7(12)6-4-14-8(13)10-6/h5-6,11H,2-4H2,1H3,(H,9,12)(H,10,13)/t5-,6?/m0/s1
InChIKeyNVPVNDQMWQUMQE-ZBHICJROSA-N
MW218.28 g/mol
LogP-0.30
Rot. Bonds4

About N-[(2S)-1-hydroxybutan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide

N-[(2S)-1-hydroxybutan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 104981103) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID104981103
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCC[C@@H](CO)NC(=O)C1CSC(=O)N1
InChIInChI=1S/C8H14N2O3S/c1-2-5(3-11)9-7(12)6-4-14-8(13)10-6/h5-6,11H,2-4H2,1H3,(H,9,12)(H,10,13)/t5-,6?/m0/s1
InChIKeyNVPVNDQMWQUMQE-ZBHICJROSA-N
XLogP-0.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.30
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

N-(1-aminobutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65193356
N-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 43500469
N-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 107222336
2-oxo-N-pent-4-yn-2-yl-1,3-thiazolidine-4-carboxamide
CID 115668999
ethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate
CID 60817082
N-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 130977762
N-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65109815
4-ethyl-N-(1-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 114428056
N-(3-aminobutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 63253701
(4S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 96568903
N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide
CID 854995
2-methyl-4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]butanoic acid
CID 80539296

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide (CID 104981103) is N-[(2S)-1-hydroxybutan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide is CC[C@@H](CO)NC(=O)C1CSC(=O)N1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is NVPVNDQMWQUMQE-ZBHICJROSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-2-5(3-11)9-7(12)6-4-14-8(13)10-6/h5-6,11H,2-4H2,1H3,(H,9,12)(H,10,13)/t5-,6?/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide?
N-[(2S)-1-hydroxybutan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 218.28 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 104981103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).