2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-phenylacetamide

C22H24N4O2S — CID 47524069

IUPAC2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-phenylacetamide
SMILESCC(=O)N(c1ccc(C)cc1)c1nc(CN(C)CC(=O)Nc2ccccc2)cs1
InChIInChI=1S/C22H24N4O2S/c1-16-9-11-20(12-10-16)26(17(2)27)22-24-19(15-29-22)13-25(3)14-21(28)23-18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,23,28)
InChIKeyKLLHZVCNCSZYPC-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.21
Rot. Bonds7

About 2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-phenylacetamide

2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-phenylacetamide (PubChem CID 47524069) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-phenylacetamide
PubChem CID47524069
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-phenylacetamide
SMILESCC(=O)N(c1ccc(C)cc1)c1nc(CN(C)CC(=O)Nc2ccccc2)cs1
InChIInChI=1S/C22H24N4O2S/c1-16-9-11-20(12-10-16)26(17(2)27)22-24-19(15-29-22)13-25(3)14-21(28)23-18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,23,28)
InChIKeyKLLHZVCNCSZYPC-UHFFFAOYSA-N
XLogP4.21
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 47521918
N-[4-[(N-methyl-2-phenoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 56549269
N-[4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 47524086
N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8541797
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8785558
N-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8694972
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 17431317
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9433713
2-[[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-tert-butylacetamide
CID 8767682
N-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 55986108
N-tert-butyl-2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetamide
CID 8767147
N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78822480

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-phenylacetamide?
The IUPAC name of 2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-phenylacetamide (CID 47524069) is 2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-phenylacetamide?
The canonical SMILES for 2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-phenylacetamide is CC(=O)N(c1ccc(C)cc1)c1nc(CN(C)CC(=O)Nc2ccccc2)cs1.
What is the InChIKey of 2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-phenylacetamide?
The InChIKey is KLLHZVCNCSZYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-16-9-11-20(12-10-16)26(17(2)27)22-24-19(15-29-22)13-25(3)14-21(28)23-18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,23,28).
What are the key properties of 2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-phenylacetamide?
2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-phenylacetamide has a molecular weight of 408.53 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-phenylacetamide is sourced from PubChem (CID 47524069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).