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

C8H15N3O2S — CID 164654399

IUPACN-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide
SMILESCNC(=O)[C@H](C)NC(=O)C1CSCN1
InChIInChI=1S/C8H15N3O2S/c1-5(7(12)9-2)11-8(13)6-3-14-4-10-6/h5-6,10H,3-4H2,1-2H3,(H,9,12)(H,11,13)/t5-,6?/m0/s1
InChIKeyKNKDXVLADAICMH-ZBHICJROSA-N
MW217.29 g/mol
LogP-1.10
Rot. Bonds3

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

N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide (PubChem CID 164654399) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide
PubChem CID164654399
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide
SMILESCNC(=O)[C@H](C)NC(=O)C1CSCN1
InChIInChI=1S/C8H15N3O2S/c1-5(7(12)9-2)11-8(13)6-3-14-4-10-6/h5-6,10H,3-4H2,1-2H3,(H,9,12)(H,11,13)/t5-,6?/m0/s1
InChIKeyKNKDXVLADAICMH-ZBHICJROSA-N
XLogP-1.10
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908
N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 104828221
(2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 61467430
N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperazine-2-carboxamide
CID 167160475
N-(4-hydroxybutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 83177193
N-[(1S)-1-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide
CID 81391197
methyl 3-methyl-2-(1,3-thiazolidine-4-carbonylamino)butanoate
CID 60780380
N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119325433
N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 61246752
N-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 107222336
N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 115734458
N-(4-methoxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 119334794

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide (CID 164654399) is N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide is CNC(=O)[C@H](C)NC(=O)C1CSCN1.
What is the InChIKey of N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is KNKDXVLADAICMH-ZBHICJROSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-5(7(12)9-2)11-8(13)6-3-14-4-10-6/h5-6,10H,3-4H2,1-2H3,(H,9,12)(H,11,13)/t5-,6?/m0/s1.
What are the key properties of N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide?
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 217.29 g/mol, XLogP of -1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 164654399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).