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

C12H15N2O4S- — CID 9154388

IUPAC4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylate
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)/p-1/t8-/m0/s1
InChIKeyBKNOZWZUOJRZTN-QMMMGPOBSA-M
MW283.33 g/mol
LogP-0.35
Rot. Bonds5

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

4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylate (PubChem CID 9154388) has the molecular formula C12H15N2O4S- and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylate
PubChem CID9154388
Molecular FormulaC12H15N2O4S-
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylate
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)/p-1/t8-/m0/s1
InChIKeyBKNOZWZUOJRZTN-QMMMGPOBSA-M
XLogP-0.35
TPSA91.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154389
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
4-methyl-2-[[[2-(oxolan-2-yl)acetyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 65157384
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 62792958
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
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110329457
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110374670
4-methyl-2-[(4-methyl-2-pyridinyl)amino]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53200041

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-carboxylate?
The IUPAC name of 4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylate (CID 9154388) is 4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for 4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylate 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-carboxylate?
The InChIKey is BKNOZWZUOJRZTN-QMMMGPOBSA-M. 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)/p-1/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-carboxylate?
4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylate has a molecular weight of 283.33 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-carboxylate is sourced from PubChem (CID 9154388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).