N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide

C15H19N3O3S — CID 108726536

IUPACN-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nc(CN(C)C)cs1
InChIInChI=1S/C15H19N3O3S/c1-18(2)8-11-10-22-15(16-11)17-14(19)9-21-13-7-5-4-6-12(13)20-3/h4-7,10H,8-9H2,1-3H3,(H,16,17,19)
InChIKeyCZTGNLZKRHIUSS-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.23
Rot. Bonds7

About N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide

N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 108726536) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
PubChem CID108726536
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nc(CN(C)C)cs1
InChIInChI=1S/C15H19N3O3S/c1-18(2)8-11-10-22-15(16-11)17-14(19)9-21-13-7-5-4-6-12(13)20-3/h4-7,10H,8-9H2,1-3H3,(H,16,17,19)
InChIKeyCZTGNLZKRHIUSS-UHFFFAOYSA-N
XLogP2.23
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 108745929
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 24634049
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 2644525
N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 108726626
methyl 4-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoate
CID 108726651
acetic acid;2-[(2,6-dimethoxyphenyl)methyl]-1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]guanidine
CID 87380709
3-(2-methoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2522764
methyl 2-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 38985945
ethyl 2-[2-[[2-(2-propoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 18129539
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 23733738
2-(2-methoxyphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19172973
N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108809288

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide (CID 108726536) is N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1nc(CN(C)C)cs1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is CZTGNLZKRHIUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-18(2)8-11-10-22-15(16-11)17-14(19)9-21-13-7-5-4-6-12(13)20-3/h4-7,10H,8-9H2,1-3H3,(H,16,17,19).
What are the key properties of N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 321.40 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 108726536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).