N-(oxolan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

C13H20N2O2S — CID 51080015

IUPACN-(oxolan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)c1nc(CC(=O)NCC2CCOC2)cs1
InChIInChI=1S/C13H20N2O2S/c1-9(2)13-15-11(8-18-13)5-12(16)14-6-10-3-4-17-7-10/h8-10H,3-7H2,1-2H3,(H,14,16)
InChIKeyUTTDWVSLOBZKLV-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.96
Rot. Bonds5

About N-(oxolan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

N-(oxolan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 51080015) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID51080015
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(oxolan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)c1nc(CC(=O)NCC2CCOC2)cs1
InChIInChI=1S/C13H20N2O2S/c1-9(2)13-15-11(8-18-13)5-12(16)14-6-10-3-4-17-7-10/h8-10H,3-7H2,1-2H3,(H,14,16)
InChIKeyUTTDWVSLOBZKLV-UHFFFAOYSA-N
XLogP1.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (CID 51080015) is N-(oxolan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is CC(C)c1nc(CC(=O)NCC2CCOC2)cs1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is UTTDWVSLOBZKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9(2)13-15-11(8-18-13)5-12(16)14-6-10-3-4-17-7-10/h8-10H,3-7H2,1-2H3,(H,14,16).
What are the key properties of N-(oxolan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
N-(oxolan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 268.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 51080015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).