2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

C23H23N3O2S2 — CID 86964826

IUPAC2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
SMILESCCOC(C)c1nc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cs1
InChIInChI=1S/C23H23N3O2S2/c1-4-28-15(3)22-25-18(13-29-22)12-21(27)24-17-8-6-16(7-9-17)23-26-19-10-5-14(2)11-20(19)30-23/h5-11,13,15H,4,12H2,1-3H3,(H,24,27)
InChIKeyNIXVFIWMQMSWOE-UHFFFAOYSA-N
MW437.59 g/mol
LogP6.01
Rot. Bonds7

About 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide (PubChem CID 86964826) has the molecular formula C23H23N3O2S2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
PubChem CID86964826
Molecular FormulaC23H23N3O2S2
Molecular Weight437.59 g/mol
Exact Mass437.12
IUPAC Name2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
SMILESCCOC(C)c1nc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cs1
InChIInChI=1S/C23H23N3O2S2/c1-4-28-15(3)22-25-18(13-29-22)12-21(27)24-17-8-6-16(7-9-17)23-26-19-10-5-14(2)11-20(19)30-23/h5-11,13,15H,4,12H2,1-3H3,(H,24,27)
InChIKeyNIXVFIWMQMSWOE-UHFFFAOYSA-N
XLogP6.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide with MolForge

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Related Compounds

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 44922574
2-ethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 2162977
2-iodo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 5155423
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide
CID 86964848
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylphenyl)urea
CID 19165577
4-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide
CID 35626405
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylsulfonylphenyl)acetamide
CID 18586875
(3R)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-phenoxypentanamide
CID 9320052
2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 30850548
2-(2,5-dimethylphenyl)sulfanyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 4553833
4-(butanoylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 2952764
N-ethyl-N'-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide
CID 108521482

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide (CID 86964826) is 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide is CCOC(C)c1nc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cs1.
What is the InChIKey of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
The InChIKey is NIXVFIWMQMSWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S2/c1-4-28-15(3)22-25-18(13-29-22)12-21(27)24-17-8-6-16(7-9-17)23-26-19-10-5-14(2)11-20(19)30-23/h5-11,13,15H,4,12H2,1-3H3,(H,24,27).
What are the key properties of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide has a molecular weight of 437.59 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 86964826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).