2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide

C21H15ClN4O3S — CID 31122576

IUPAC2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1c(-c2ccccc2)nc2sccn12
InChIInChI=1S/C21H15ClN4O3S/c22-14-6-7-16-15(10-14)26(18(28)12-29-16)11-17(27)23-20-19(13-4-2-1-3-5-13)24-21-25(20)8-9-30-21/h1-10H,11-12H2,(H,23,27)
InChIKeyATXFSEWVEJFTTH-UHFFFAOYSA-N
MW438.90 g/mol
LogP4.08
Rot. Bonds4

About 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide (PubChem CID 31122576) has the molecular formula C21H15ClN4O3S and a molecular weight of 438.90 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide
PubChem CID31122576
Molecular FormulaC21H15ClN4O3S
Molecular Weight438.90 g/mol
Exact Mass438.06
IUPAC Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1c(-c2ccccc2)nc2sccn12
InChIInChI=1S/C21H15ClN4O3S/c22-14-6-7-16-15(10-14)26(18(28)12-29-16)11-17(27)23-20-19(13-4-2-1-3-5-13)24-21-25(20)8-9-30-21/h1-10H,11-12H2,(H,23,27)
InChIKeyATXFSEWVEJFTTH-UHFFFAOYSA-N
XLogP4.08
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.90
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3494008
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2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dichlorophenyl)acetamide
CID 23409530
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 31109847
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,5-dimethylphenyl)acetamide
CID 967788
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32607513
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetamide
CID 30291511
N-(2-benzoyl-4-chlorophenyl)-2-[3-oxo-6-(1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetamide
CID 39086105
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 25336533
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 23409557
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 1263385
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 31124570

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide (CID 31122576) is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide is O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1c(-c2ccccc2)nc2sccn12.
What is the InChIKey of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide?
The InChIKey is ATXFSEWVEJFTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O3S/c22-14-6-7-16-15(10-14)26(18(28)12-29-16)11-17(27)23-20-19(13-4-2-1-3-5-13)24-21-25(20)8-9-30-21/h1-10H,11-12H2,(H,23,27).
What are the key properties of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide?
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide has a molecular weight of 438.90 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide is sourced from PubChem (CID 31122576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).