ethane;3-methyl-1,3-thiazolidine-4-carboxamide

C7H16N2OS — CID 178176734

IUPACethane;3-methyl-1,3-thiazolidine-4-carboxamide
SMILESCC.CN1CSCC1C(N)=O
InChIInChI=1S/C5H10N2OS.C2H6/c1-7-3-9-2-4(7)5(6)8;1-2/h4H,2-3H2,1H3,(H2,6,8);1-2H3
InChIKeyNYELJRJMVYABPD-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.50
Rot. Bonds1

About ethane;3-methyl-1,3-thiazolidine-4-carboxamide

ethane;3-methyl-1,3-thiazolidine-4-carboxamide (PubChem CID 178176734) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is ethane;3-methyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Nameethane;3-methyl-1,3-thiazolidine-4-carboxamide
PubChem CID178176734
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Nameethane;3-methyl-1,3-thiazolidine-4-carboxamide
SMILESCC.CN1CSCC1C(N)=O
InChIInChI=1S/C5H10N2OS.C2H6/c1-7-3-9-2-4(7)5(6)8;1-2/h4H,2-3H2,1H3,(H2,6,8);1-2H3
InChIKeyNYELJRJMVYABPD-UHFFFAOYSA-N
XLogP0.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-methylazetidine-2-carboxamide
CID 59708444
ethane;1-methylpiperidine-2-carboxamide
CID 143592848
(2S,4S)-4-amino-N-methyl-1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxamide
CID 56739136
3-methyl-2-oxo-1,3-thiazolidine-4-carboxamide
CID 141184233
(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
1-methylpyrrolidine-2-carboxamide;hydrochloride
CID 66716063
1,4-dimethylpyrrolidine-2-carboxamide
CID 59689218
(2R,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxamide
CID 118191009
(4R)-3-(2-amino-2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 79814048
3-(5-oxopyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 10263810
1-methyl-4-sulfanylpyrrolidine-2-carboxamide
CID 19907166
1-methylpiperazine-2-carboxamide;dihydrochloride
CID 23145861

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of ethane;3-methyl-1,3-thiazolidine-4-carboxamide (CID 178176734) is ethane;3-methyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for ethane;3-methyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for ethane;3-methyl-1,3-thiazolidine-4-carboxamide is CC.CN1CSCC1C(N)=O.
What is the InChIKey of ethane;3-methyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is NYELJRJMVYABPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS.C2H6/c1-7-3-9-2-4(7)5(6)8;1-2/h4H,2-3H2,1H3,(H2,6,8);1-2H3.
What are the key properties of ethane;3-methyl-1,3-thiazolidine-4-carboxamide?
ethane;3-methyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 176.28 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 178176734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).