N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide

C19H25N3O4S — CID 110386987

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2csc(CN3CCOCC3)n2)cc1OC
InChIInChI=1S/C19H25N3O4S/c1-24-16-4-3-14(9-17(16)25-2)11-20-18(23)10-15-13-27-19(21-15)12-22-5-7-26-8-6-22/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,20,23)
InChIKeyKQOSVBVPXGXRPW-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.85
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 110386987) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID110386987
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2csc(CN3CCOCC3)n2)cc1OC
InChIInChI=1S/C19H25N3O4S/c1-24-16-4-3-14(9-17(16)25-2)11-20-18(23)10-15-13-27-19(21-15)12-22-5-7-26-8-6-22/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,20,23)
InChIKeyKQOSVBVPXGXRPW-UHFFFAOYSA-N
XLogP1.85
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55815087
N-(4-ethylphenyl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110387017
2-(2-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 110359915
N-[(4-chlorophenyl)methyl]-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386851
N-(pyridin-4-ylmethyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386591
2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110742865
N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463976
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31446019
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 31446242
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]acetamide
CID 55781370
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252
methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359921

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide (CID 110386987) is N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide is COc1ccc(CNC(=O)Cc2csc(CN3CCOCC3)n2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is KQOSVBVPXGXRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-24-16-4-3-14(9-17(16)25-2)11-20-18(23)10-15-13-27-19(21-15)12-22-5-7-26-8-6-22/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,20,23).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 391.49 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110386987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).