N-(2-methylphenyl)-2-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide

C20H23N3OS2 — CID 78828748

IUPACN-(2-methylphenyl)-2-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1NC(=O)Cc1nc(CN(C)C(C)c2cccs2)cs1
InChIInChI=1S/C20H23N3OS2/c1-14-7-4-5-8-17(14)22-19(24)11-20-21-16(13-26-20)12-23(3)15(2)18-9-6-10-25-18/h4-10,13,15H,11-12H2,1-3H3,(H,22,24)
InChIKeyQHIYGTLGTUFEST-UHFFFAOYSA-N
MW385.56 g/mol
LogP4.89
Rot. Bonds7

About N-(2-methylphenyl)-2-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide

N-(2-methylphenyl)-2-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 78828748) has the molecular formula C20H23N3OS2 and a molecular weight of 385.56 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID78828748
Molecular FormulaC20H23N3OS2
Molecular Weight385.56 g/mol
Exact Mass385.13
IUPAC NameN-(2-methylphenyl)-2-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1NC(=O)Cc1nc(CN(C)C(C)c2cccs2)cs1
InChIInChI=1S/C20H23N3OS2/c1-14-7-4-5-8-17(14)22-19(24)11-20-21-16(13-26-20)12-23(3)15(2)18-9-6-10-25-18/h4-10,13,15H,11-12H2,1-3H3,(H,22,24)
InChIKeyQHIYGTLGTUFEST-UHFFFAOYSA-N
XLogP4.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 17436287
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-phenylbutanoate
CID 25163377
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 110374734
2-[methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]amino]propanoic acid
CID 119913071
2-[4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide
CID 78822945
2-[4-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 78817863
N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963676
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 4858226
2-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 17405571
2-[4-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 78787861
2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 2535547
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2,4-dihydroxybenzoate
CID 7500956

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 78828748) is N-(2-methylphenyl)-2-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is Cc1ccccc1NC(=O)Cc1nc(CN(C)C(C)c2cccs2)cs1.
What is the InChIKey of N-(2-methylphenyl)-2-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is QHIYGTLGTUFEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS2/c1-14-7-4-5-8-17(14)22-19(24)11-20-21-16(13-26-20)12-23(3)15(2)18-9-6-10-25-18/h4-10,13,15H,11-12H2,1-3H3,(H,22,24).
What are the key properties of N-(2-methylphenyl)-2-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-(2-methylphenyl)-2-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 385.56 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 78828748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).