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

C26H25N3O2S — CID 56549269

IUPACN-[4-[(N-methyl-2-phenoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCC(=O)N(c1ccc(C)cc1)c1nc(CN(C)c2ccccc2Oc2ccccc2)cs1
InChIInChI=1S/C26H25N3O2S/c1-19-13-15-22(16-14-19)29(20(2)30)26-27-21(18-32-26)17-28(3)24-11-7-8-12-25(24)31-23-9-5-4-6-10-23/h4-16,18H,17H2,1-3H3
InChIKeyWAXLCUOCPVHRCZ-UHFFFAOYSA-N
MW443.57 g/mol
LogP6.56
Rot. Bonds7

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

N-[4-[(N-methyl-2-phenoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 56549269) has the molecular formula C26H25N3O2S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[4-[(N-methyl-2-phenoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(N-methyl-2-phenoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID56549269
Molecular FormulaC26H25N3O2S
Molecular Weight443.57 g/mol
Exact Mass443.17
IUPAC NameN-[4-[(N-methyl-2-phenoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCC(=O)N(c1ccc(C)cc1)c1nc(CN(C)c2ccccc2Oc2ccccc2)cs1
InChIInChI=1S/C26H25N3O2S/c1-19-13-15-22(16-14-19)29(20(2)30)26-27-21(18-32-26)17-28(3)24-11-7-8-12-25(24)31-23-9-5-4-6-10-23/h4-16,18H,17H2,1-3H3
InChIKeyWAXLCUOCPVHRCZ-UHFFFAOYSA-N
XLogP6.56
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.57
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-phenylacetamide
CID 47524069
N-[4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 47524086
2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 47521918
N-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8694972
N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8541797
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (2R)-2-phenoxypropanoate
CID 8790409
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-(dimethylamino)benzoate
CID 8532550
N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78822480
N-(4-methylphenyl)-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 119041182
(E)-3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(4-methylphenoxy)phenyl]prop-2-enamide
CID 26890894
[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl benzoate
CID 7868354
N-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78818770

Frequently Asked Questions

What is the IUPAC name of N-[4-[(N-methyl-2-phenoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of N-[4-[(N-methyl-2-phenoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (CID 56549269) is N-[4-[(N-methyl-2-phenoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[4-[(N-methyl-2-phenoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for N-[4-[(N-methyl-2-phenoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is CC(=O)N(c1ccc(C)cc1)c1nc(CN(C)c2ccccc2Oc2ccccc2)cs1.
What is the InChIKey of N-[4-[(N-methyl-2-phenoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is WAXLCUOCPVHRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2S/c1-19-13-15-22(16-14-19)29(20(2)30)26-27-21(18-32-26)17-28(3)24-11-7-8-12-25(24)31-23-9-5-4-6-10-23/h4-16,18H,17H2,1-3H3.
What are the key properties of N-[4-[(N-methyl-2-phenoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
N-[4-[(N-methyl-2-phenoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 443.57 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(N-methyl-2-phenoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 56549269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).