N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

C20H27N3O4S — CID 55775456

IUPACN-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCOc1ccc(CCN(C)C(=O)Cc2csc(NC(=O)C(C)C)n2)cc1OC
InChIInChI=1S/C20H27N3O4S/c1-13(2)19(25)22-20-21-15(12-28-20)11-18(24)23(3)9-8-14-6-7-16(26-4)17(10-14)27-5/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,21,22,25)
InChIKeyDEDYKBDEYYZULW-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.00
Rot. Bonds9

About N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 55775456) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID55775456
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCOc1ccc(CCN(C)C(=O)Cc2csc(NC(=O)C(C)C)n2)cc1OC
InChIInChI=1S/C20H27N3O4S/c1-13(2)19(25)22-20-21-15(12-28-20)11-18(24)23(3)9-8-14-6-7-16(26-4)17(10-14)27-5/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,21,22,25)
InChIKeyDEDYKBDEYYZULW-UHFFFAOYSA-N
XLogP3.00
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55896960
2-methyl-N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 55772290
N-[4-[2-[bis(2-phenylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55775566
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287977
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26826376
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 42695652
N-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 47047007
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38011894
N-[4-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55789254
N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 110386212
3,4-dimethoxy-N-[4-[2-(N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41226185
N-(4-chlorophenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetamide
CID 1465598

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 55775456) is N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is COc1ccc(CCN(C)C(=O)Cc2csc(NC(=O)C(C)C)n2)cc1OC.
What is the InChIKey of N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is DEDYKBDEYYZULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-13(2)19(25)22-20-21-15(12-28-20)11-18(24)23(3)9-8-14-6-7-16(26-4)17(10-14)27-5/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,21,22,25).
What are the key properties of N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 405.52 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 55775456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).