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

C8H16N2O2S — CID 107222336

IUPACN-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide
SMILESCC[C@@H](CO)NC(=O)C1CSCN1
InChIInChI=1S/C8H16N2O2S/c1-2-6(3-11)10-8(12)7-4-13-5-9-7/h6-7,9,11H,2-5H2,1H3,(H,10,12)/t6-,7?/m0/s1
InChIKeyPGQMDERNIFIFLQ-PKPIPKONSA-N
MW204.29 g/mol
LogP-0.46
Rot. Bonds4

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

N-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide (PubChem CID 107222336) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide
PubChem CID107222336
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide
SMILESCC[C@@H](CO)NC(=O)C1CSCN1
InChIInChI=1S/C8H16N2O2S/c1-2-6(3-11)10-8(12)7-4-13-5-9-7/h6-7,9,11H,2-5H2,1H3,(H,10,12)/t6-,7?/m0/s1
InChIKeyPGQMDERNIFIFLQ-PKPIPKONSA-N
XLogP-0.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 61246752
(4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 102046659
N-(4-hydroxybutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 83177193
methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate
CID 119281420
(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908
N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119325433
N-[(2S)-1-hydroxybutan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 104981103
(2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid
CID 107565112
N-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 65036326
N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 115734458
4-ethyl-N-(1-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 114428056
N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 104828221

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide (CID 107222336) is N-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide is CC[C@@H](CO)NC(=O)C1CSCN1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is PGQMDERNIFIFLQ-PKPIPKONSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-2-6(3-11)10-8(12)7-4-13-5-9-7/h6-7,9,11H,2-5H2,1H3,(H,10,12)/t6-,7?/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide?
N-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 204.29 g/mol, XLogP of -0.46, 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]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 107222336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).