4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid

C12H18N2O4S — CID 138054098

IUPAC4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C(C)NC(=O)OC(C)(C)C)sc1C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-6-8(10(15)16)19-9(13-6)7(2)14-11(17)18-12(3,4)5/h7H,1-5H3,(H,14,17)(H,15,16)
InChIKeyMZEGGMCWVAXOTK-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.74
Rot. Bonds3

About 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 138054098) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID138054098
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C(C)NC(=O)OC(C)(C)C)sc1C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-6-8(10(15)16)19-9(13-6)7(2)14-11(17)18-12(3,4)5/h7H,1-5H3,(H,14,17)(H,15,16)
InChIKeyMZEGGMCWVAXOTK-UHFFFAOYSA-N
XLogP2.74
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid (CID 138054098) is 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid is Cc1nc(C(C)NC(=O)OC(C)(C)C)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is MZEGGMCWVAXOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-6-8(10(15)16)19-9(13-6)7(2)14-11(17)18-12(3,4)5/h7H,1-5H3,(H,14,17)(H,15,16).
What are the key properties of 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 286.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 138054098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).