2-[4-[[1-(3-methoxyphenyl)propyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide

C18H25N3O2S — CID 154758197

IUPAC2-[4-[[1-(3-methoxyphenyl)propyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCCC(c1cccc(OC)c1)N(C)Cc1csc(CC(=O)NC)n1
InChIInChI=1S/C18H25N3O2S/c1-5-16(13-7-6-8-15(9-13)23-4)21(3)11-14-12-24-18(20-14)10-17(22)19-2/h6-9,12,16H,5,10-11H2,1-4H3,(H,19,22)
InChIKeyPZZMQRSGRGHMSP-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.02
Rot. Bonds8

About 2-[4-[[1-(3-methoxyphenyl)propyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide

2-[4-[[1-(3-methoxyphenyl)propyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide (PubChem CID 154758197) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-[4-[[1-(3-methoxyphenyl)propyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[1-(3-methoxyphenyl)propyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
PubChem CID154758197
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name2-[4-[[1-(3-methoxyphenyl)propyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCCC(c1cccc(OC)c1)N(C)Cc1csc(CC(=O)NC)n1
InChIInChI=1S/C18H25N3O2S/c1-5-16(13-7-6-8-15(9-13)23-4)21(3)11-14-12-24-18(20-14)10-17(22)19-2/h6-9,12,16H,5,10-11H2,1-4H3,(H,19,22)
InChIKeyPZZMQRSGRGHMSP-UHFFFAOYSA-N
XLogP3.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethyl-1,3-thiazol-2-yl)-N-methylacetamide
CID 131039339
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 134032752
2-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8780612
2-[2-[[3-(3-methoxyphenyl)butanoylamino]methyl]-1,3-thiazol-4-yl]acetic acid
CID 138049554
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 16768117
2-(aminomethyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119837718
1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]propan-1-amine
CID 126816583
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate
CID 116910243
2-(2-aminoethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 120639941
3-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109420897
3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109424033

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(3-methoxyphenyl)propyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[[1-(3-methoxyphenyl)propyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide (CID 154758197) is 2-[4-[[1-(3-methoxyphenyl)propyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[1-(3-methoxyphenyl)propyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[1-(3-methoxyphenyl)propyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide is CCC(c1cccc(OC)c1)N(C)Cc1csc(CC(=O)NC)n1.
What is the InChIKey of 2-[4-[[1-(3-methoxyphenyl)propyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The InChIKey is PZZMQRSGRGHMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-5-16(13-7-6-8-15(9-13)23-4)21(3)11-14-12-24-18(20-14)10-17(22)19-2/h6-9,12,16H,5,10-11H2,1-4H3,(H,19,22).
What are the key properties of 2-[4-[[1-(3-methoxyphenyl)propyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
2-[4-[[1-(3-methoxyphenyl)propyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide has a molecular weight of 347.48 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(3-methoxyphenyl)propyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 154758197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).