N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-4-carboxamide

C12H18N2O2S — CID 75498673

IUPACN-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-4-carboxamide
SMILESCC1(C)CC(NC(=O)c2cscn2)C(C)(C)O1
InChIInChI=1S/C12H18N2O2S/c1-11(2)5-9(12(3,4)16-11)14-10(15)8-6-17-7-13-8/h6-7,9H,5H2,1-4H3,(H,14,15)
InChIKeyIXXZCJFLCLFRHX-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.22
Rot. Bonds2

About N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-4-carboxamide

N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 75498673) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID75498673
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-4-carboxamide
SMILESCC1(C)CC(NC(=O)c2cscn2)C(C)(C)O1
InChIInChI=1S/C12H18N2O2S/c1-11(2)5-9(12(3,4)16-11)14-10(15)8-6-17-7-13-8/h6-7,9H,5H2,1-4H3,(H,14,15)
InChIKeyIXXZCJFLCLFRHX-UHFFFAOYSA-N
XLogP2.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-4-carboxamide (CID 75498673) is N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-4-carboxamide is CC1(C)CC(NC(=O)c2cscn2)C(C)(C)O1.
What is the InChIKey of N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is IXXZCJFLCLFRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-11(2)5-9(12(3,4)16-11)14-10(15)8-6-17-7-13-8/h6-7,9H,5H2,1-4H3,(H,14,15).
What are the key properties of N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-4-carboxamide?
N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75498673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).