N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide

C8H12N4O2S — CID 61015389

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1noc(CNC(=O)C2CSCN2)n1
InChIInChI=1S/C8H12N4O2S/c1-5-11-7(14-12-5)2-9-8(13)6-3-15-4-10-6/h6,10H,2-4H2,1H3,(H,9,13)
InChIKeyJBVCYPFCXYBWOB-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.34
Rot. Bonds3

About N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 61015389) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID61015389
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1noc(CNC(=O)C2CSCN2)n1
InChIInChI=1S/C8H12N4O2S/c1-5-11-7(14-12-5)2-9-8(13)6-3-15-4-10-6/h6,10H,2-4H2,1H3,(H,9,13)
InChIKeyJBVCYPFCXYBWOB-UHFFFAOYSA-N
XLogP-0.34
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxamide
CID 119322891
(4S)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 97014181
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110742446
N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61016722
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119891916
N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119299728
(3R)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61163280
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 106371148
N-[(6-methylpyridazin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110746243
N-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793633
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61021789
cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092025

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide (CID 61015389) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide is Cc1noc(CNC(=O)C2CSCN2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is JBVCYPFCXYBWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-5-11-7(14-12-5)2-9-8(13)6-3-15-4-10-6/h6,10H,2-4H2,1H3,(H,9,13).
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 228.28 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 61015389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).