4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylic acid

C12H16N2O4S — CID 9154389

IUPAC4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CC(=O)NC[C@@H]2CCCO2)sc1C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-7-11(12(16)17)19-10(14-7)5-9(15)13-6-8-3-2-4-18-8/h8H,2-6H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
InChIKeyBKNOZWZUOJRZTN-QMMMGPOBSA-N
MW284.34 g/mol
LogP0.99
Rot. Bonds5

About 4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 9154389) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID9154389
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CC(=O)NC[C@@H]2CCCO2)sc1C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-7-11(12(16)17)19-10(14-7)5-9(15)13-6-8-3-2-4-18-8/h8H,2-6H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
InChIKeyBKNOZWZUOJRZTN-QMMMGPOBSA-N
XLogP0.99
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylic acid with MolForge

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Related Compounds

4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylate
CID 9154388
4-methyl-2-[[[2-(oxolan-2-yl)acetyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 65157384
2-(methoxymethyl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110374795
4-methyl-2-(morpholin-4-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387444
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 62792958
2-[ethyl(oxolan-2-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765974
4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110341749
4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 40840716
N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30479226
4-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]-1,3-thiazole-5-carboxylic acid
CID 65158383
2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110329457

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylic acid (CID 9154389) is 4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylic acid is Cc1nc(CC(=O)NC[C@@H]2CCCO2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is BKNOZWZUOJRZTN-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-7-11(12(16)17)19-10(14-7)5-9(15)13-6-8-3-2-4-18-8/h8H,2-6H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1.
What are the key properties of 4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 9154389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).