N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[(3R)-oxolan-3-yl]acetamide

C13H20N2O3S — CID 125438010

IUPACN-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[(3R)-oxolan-3-yl]acetamide
SMILESCOCc1nc(C)c(CNC(=O)C[C@H]2CCOC2)s1
InChIInChI=1S/C13H20N2O3S/c1-9-11(19-13(15-9)8-17-2)6-14-12(16)5-10-3-4-18-7-10/h10H,3-8H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeyJLCBKOJFDNMDLS-SNVBAGLBSA-N
MW284.38 g/mol
LogP1.64
Rot. Bonds6

About N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[(3R)-oxolan-3-yl]acetamide

N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[(3R)-oxolan-3-yl]acetamide (PubChem CID 125438010) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[(3R)-oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[(3R)-oxolan-3-yl]acetamide
PubChem CID125438010
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[(3R)-oxolan-3-yl]acetamide
SMILESCOCc1nc(C)c(CNC(=O)C[C@H]2CCOC2)s1
InChIInChI=1S/C13H20N2O3S/c1-9-11(19-13(15-9)8-17-2)6-14-12(16)5-10-3-4-18-7-10/h10H,3-8H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeyJLCBKOJFDNMDLS-SNVBAGLBSA-N
XLogP1.64
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[(3R)-oxolan-3-yl]acetamide?
The IUPAC name of N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[(3R)-oxolan-3-yl]acetamide (CID 125438010) is N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[(3R)-oxolan-3-yl]acetamide.
What is the SMILES notation for N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[(3R)-oxolan-3-yl]acetamide?
The canonical SMILES for N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[(3R)-oxolan-3-yl]acetamide is COCc1nc(C)c(CNC(=O)C[C@H]2CCOC2)s1.
What is the InChIKey of N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[(3R)-oxolan-3-yl]acetamide?
The InChIKey is JLCBKOJFDNMDLS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-11(19-13(15-9)8-17-2)6-14-12(16)5-10-3-4-18-7-10/h10H,3-8H2,1-2H3,(H,14,16)/t10-/m1/s1.
What are the key properties of N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[(3R)-oxolan-3-yl]acetamide?
N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[(3R)-oxolan-3-yl]acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[(3R)-oxolan-3-yl]acetamide is sourced from PubChem (CID 125438010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).