tert-butyl 2-[(2-hydroxy-2-methylpropyl)carbamoyl]-1,3-thiazole-4-carboxylate

C13H20N2O4S — CID 121303179

IUPACtert-butyl 2-[(2-hydroxy-2-methylpropyl)carbamoyl]-1,3-thiazole-4-carboxylate
SMILESCC(C)(O)CNC(=O)c1nc(C(=O)OC(C)(C)C)cs1
InChIInChI=1S/C13H20N2O4S/c1-12(2,3)19-11(17)8-6-20-10(15-8)9(16)14-7-13(4,5)18/h6,18H,7H2,1-5H3,(H,14,16)
InChIKeyPGYOAQUFPFRHRY-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.60
Rot. Bonds4

About tert-butyl 2-[(2-hydroxy-2-methylpropyl)carbamoyl]-1,3-thiazole-4-carboxylate

tert-butyl 2-[(2-hydroxy-2-methylpropyl)carbamoyl]-1,3-thiazole-4-carboxylate (PubChem CID 121303179) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is tert-butyl 2-[(2-hydroxy-2-methylpropyl)carbamoyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(2-hydroxy-2-methylpropyl)carbamoyl]-1,3-thiazole-4-carboxylate
PubChem CID121303179
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Nametert-butyl 2-[(2-hydroxy-2-methylpropyl)carbamoyl]-1,3-thiazole-4-carboxylate
SMILESCC(C)(O)CNC(=O)c1nc(C(=O)OC(C)(C)C)cs1
InChIInChI=1S/C13H20N2O4S/c1-12(2,3)19-11(17)8-6-20-10(15-8)9(16)14-7-13(4,5)18/h6,18H,7H2,1-5H3,(H,14,16)
InChIKeyPGYOAQUFPFRHRY-UHFFFAOYSA-N
XLogP1.60
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
CID 123429134
N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198788
4-methoxycarbonyl-1,3-thiazole-2-carboxylic acid
CID 84770279
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-4-yl]acetic acid
CID 66917505
tert-butyl N-[3-[(2-bromo-1,3-thiazole-4-carbonyl)amino]propyl]carbamate
CID 167230577
carbon dioxide;N-(2,2-dimethylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 159765137
4-ethyl-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide
CID 159632312
3-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]-2-pyridinyl]propanoic acid
CID 90431099
4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide
CID 53158336
tert-butyl N-[3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropyl]carbamate
CID 165465018
N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 65110228
[2-[1-[(2-hydroxy-2-methylpropyl)amino]ethenyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 163929670

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-hydroxy-2-methylpropyl)carbamoyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of tert-butyl 2-[(2-hydroxy-2-methylpropyl)carbamoyl]-1,3-thiazole-4-carboxylate (CID 121303179) is tert-butyl 2-[(2-hydroxy-2-methylpropyl)carbamoyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[(2-hydroxy-2-methylpropyl)carbamoyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for tert-butyl 2-[(2-hydroxy-2-methylpropyl)carbamoyl]-1,3-thiazole-4-carboxylate is CC(C)(O)CNC(=O)c1nc(C(=O)OC(C)(C)C)cs1.
What is the InChIKey of tert-butyl 2-[(2-hydroxy-2-methylpropyl)carbamoyl]-1,3-thiazole-4-carboxylate?
The InChIKey is PGYOAQUFPFRHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-12(2,3)19-11(17)8-6-20-10(15-8)9(16)14-7-13(4,5)18/h6,18H,7H2,1-5H3,(H,14,16).
What are the key properties of tert-butyl 2-[(2-hydroxy-2-methylpropyl)carbamoyl]-1,3-thiazole-4-carboxylate?
tert-butyl 2-[(2-hydroxy-2-methylpropyl)carbamoyl]-1,3-thiazole-4-carboxylate has a molecular weight of 300.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-hydroxy-2-methylpropyl)carbamoyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 121303179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).