2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide

C20H17N3O2S — CID 86980707

IUPAC2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)Cc3csc(Cc4ccccc4)n3)cc2o1
InChIInChI=1S/C20H17N3O2S/c1-13-21-17-8-7-15(10-18(17)25-13)22-19(24)11-16-12-26-20(23-16)9-14-5-3-2-4-6-14/h2-8,10,12H,9,11H2,1H3,(H,22,24)
InChIKeyBUVMNDWUARKCPO-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.36
Rot. Bonds5

About 2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide

2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide (PubChem CID 86980707) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
PubChem CID86980707
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)Cc3csc(Cc4ccccc4)n3)cc2o1
InChIInChI=1S/C20H17N3O2S/c1-13-21-17-8-7-15(10-18(17)25-13)22-19(24)11-16-12-26-20(23-16)9-14-5-3-2-4-6-14/h2-8,10,12H,9,11H2,1H3,(H,22,24)
InChIKeyBUVMNDWUARKCPO-UHFFFAOYSA-N
XLogP4.36
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 55649827
2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-bromo-4-methylphenyl)acetamide
CID 55671045
2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 39896236
N-(1-benzylpyrazol-4-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 55948097
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-fluorophenyl)acetamide
CID 38765206
N-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide
CID 110729007
N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-2-phenylacetamide
CID 9322566
5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid
CID 115163815
ethyl 2-[2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 55649828
N-[3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46440831
N-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 36591038
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34304284

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide?
The IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide (CID 86980707) is 2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide.
What is the SMILES notation for 2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide?
The canonical SMILES for 2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide is Cc1nc2ccc(NC(=O)Cc3csc(Cc4ccccc4)n3)cc2o1.
What is the InChIKey of 2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide?
The InChIKey is BUVMNDWUARKCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-13-21-17-8-7-15(10-18(17)25-13)22-19(24)11-16-12-26-20(23-16)9-14-5-3-2-4-6-14/h2-8,10,12H,9,11H2,1H3,(H,22,24).
What are the key properties of 2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide?
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide has a molecular weight of 363.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide is sourced from PubChem (CID 86980707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).