2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C20H26N2O2S — CID 124843014

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1cccc(CN(C[C@@H]2CCCO2)C(=O)Cc2nc(C)sc2C)c1
InChIInChI=1S/C20H26N2O2S/c1-14-6-4-7-17(10-14)12-22(13-18-8-5-9-24-18)20(23)11-19-15(2)25-16(3)21-19/h4,6-7,10,18H,5,8-9,11-13H2,1-3H3/t18-/m0/s1
InChIKeyDAEMTOWSQPPIKB-SFHVURJKSA-N
MW358.51 g/mol
LogP3.82
Rot. Bonds6

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 124843014) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID124843014
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1cccc(CN(C[C@@H]2CCCO2)C(=O)Cc2nc(C)sc2C)c1
InChIInChI=1S/C20H26N2O2S/c1-14-6-4-7-17(10-14)12-22(13-18-8-5-9-24-18)20(23)11-19-15(2)25-16(3)21-19/h4,6-7,10,18H,5,8-9,11-13H2,1-3H3/t18-/m0/s1
InChIKeyDAEMTOWSQPPIKB-SFHVURJKSA-N
XLogP3.82
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-3-carboxamide
CID 131930390
N-[(3-methylphenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97273224
N-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 61435069
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55514055
2-(3-methylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55438272
N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 94348968
5-methoxy-N-[(3-methylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-2-carboxamide
CID 74250697
2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide
CID 119747350
N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 77089111
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 3267689
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 71935038
N-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide
CID 44779998

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 124843014) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)Cc2nc(C)sc2C)c1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is DAEMTOWSQPPIKB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-14-6-4-7-17(10-14)12-22(13-18-8-5-9-24-18)20(23)11-19-15(2)25-16(3)21-19/h4,6-7,10,18H,5,8-9,11-13H2,1-3H3/t18-/m0/s1.
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 358.51 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 124843014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).