N-tert-butyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-ethylamino]acetamide

C20H29N3O3S — CID 8795767

IUPACN-tert-butyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)Cc1csc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C20H29N3O3S/c1-7-23(12-18(24)22-20(2,3)4)11-15-13-27-19(21-15)14-8-9-16(25-5)17(10-14)26-6/h8-10,13H,7,11-12H2,1-6H3,(H,22,24)
InChIKeyXMPHCXOXTLVHOP-UHFFFAOYSA-N
MW391.54 g/mol
LogP3.56
Rot. Bonds8

About N-tert-butyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-ethylamino]acetamide

N-tert-butyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-ethylamino]acetamide (PubChem CID 8795767) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-ethylamino]acetamide
PubChem CID8795767
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC NameN-tert-butyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)Cc1csc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C20H29N3O3S/c1-7-23(12-18(24)22-20(2,3)4)11-15-13-27-19(21-15)14-8-9-16(25-5)17(10-14)26-6/h8-10,13H,7,11-12H2,1-6H3,(H,22,24)
InChIKeyXMPHCXOXTLVHOP-UHFFFAOYSA-N
XLogP3.56
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
CID 8909934
N-(2-amino-2-ethylbutyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119642682
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
N-tert-butyl-2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetamide
CID 8767147
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 9250444
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55407689
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 4823194
4-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiane-4-carboxylic acid
CID 134601474
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 78767639
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 8001192
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-ethylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-ethylamino]acetamide (CID 8795767) is N-tert-butyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-ethylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-ethylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-ethylamino]acetamide is CCN(CC(=O)NC(C)(C)C)Cc1csc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of N-tert-butyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-ethylamino]acetamide?
The InChIKey is XMPHCXOXTLVHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-7-23(12-18(24)22-20(2,3)4)11-15-13-27-19(21-15)14-8-9-16(25-5)17(10-14)26-6/h8-10,13H,7,11-12H2,1-6H3,(H,22,24).
What are the key properties of N-tert-butyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-ethylamino]acetamide?
N-tert-butyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-ethylamino]acetamide has a molecular weight of 391.54 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-ethylamino]acetamide is sourced from PubChem (CID 8795767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).