2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide

C16H20N2O2S — CID 110372288

IUPAC2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1sc(Cc2ccccc2)nc1C
InChIInChI=1S/C16H20N2O2S/c1-12-14(11-15(19)17-8-9-20-2)21-16(18-12)10-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,17,19)
InChIKeyARRLAXKYFOEVMU-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.35
Rot. Bonds7

About 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide

2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 110372288) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide
PubChem CID110372288
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1sc(Cc2ccccc2)nc1C
InChIInChI=1S/C16H20N2O2S/c1-12-14(11-15(19)17-8-9-20-2)21-16(18-12)10-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,17,19)
InChIKeyARRLAXKYFOEVMU-UHFFFAOYSA-N
XLogP2.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide
CID 84564619
3-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82155080
N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbutanamide
CID 110645528
2-[2-[2-(benzylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82155047
N-(2-acetamidoethyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84564614
2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 110374554
2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol
CID 83292082
2-(2-methoxyethylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 119772227
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide
CID 110328764
2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methoxyphenyl)propanamide
CID 110421321
2-benzyl-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55657916

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide (CID 110372288) is 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cc1sc(Cc2ccccc2)nc1C.
What is the InChIKey of 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is ARRLAXKYFOEVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-14(11-15(19)17-8-9-20-2)21-16(18-12)10-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide?
2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 304.41 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 110372288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).