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

C23H27N3OS — CID 47524086

IUPACN-[4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCCN(Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)Cc1ccccc1C
InChIInChI=1S/C23H27N3OS/c1-5-25(14-20-9-7-6-8-18(20)3)15-21-16-28-23(24-21)26(19(4)27)22-12-10-17(2)11-13-22/h6-13,16H,5,14-15H2,1-4H3
InChIKeyXSEPXYSDQWFOFH-UHFFFAOYSA-N
MW393.56 g/mol
LogP5.47
Rot. Bonds7

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

N-[4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 47524086) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is N-[4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID47524086
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC NameN-[4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCCN(Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)Cc1ccccc1C
InChIInChI=1S/C23H27N3OS/c1-5-25(14-20-9-7-6-8-18(20)3)15-21-16-28-23(24-21)26(19(4)27)22-12-10-17(2)11-13-22/h6-13,16H,5,14-15H2,1-4H3
InChIKeyXSEPXYSDQWFOFH-UHFFFAOYSA-N
XLogP5.47
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.56
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8596103
2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-phenylacetamide
CID 47524069
N-[4-[(N-methyl-2-phenoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 56549269
N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8541797
N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78822480
2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 47521918
N-[4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78817704
2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide
CID 78818462
2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-ethylacetamide
CID 8682990
N-(4-methylphenyl)-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 119041182
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 2121621
N-[4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 24616995

Frequently Asked Questions

What is the IUPAC name of N-[4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of N-[4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (CID 47524086) is N-[4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for N-[4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is CCN(Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)Cc1ccccc1C.
What is the InChIKey of N-[4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is XSEPXYSDQWFOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-5-25(14-20-9-7-6-8-18(20)3)15-21-16-28-23(24-21)26(19(4)27)22-12-10-17(2)11-13-22/h6-13,16H,5,14-15H2,1-4H3.
What are the key properties of N-[4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
N-[4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 393.56 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 47524086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).