2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetamide

C17H13ClN4O3S — CID 30291511

IUPAC2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1nc(-c2ccc[nH]2)cs1
InChIInChI=1S/C17H13ClN4O3S/c18-10-3-4-14-13(6-10)22(16(24)8-25-14)7-15(23)21-17-20-12(9-26-17)11-2-1-5-19-11/h1-6,9,19H,7-8H2,(H,20,21,23)
InChIKeyOAZZANLEZOAOSE-UHFFFAOYSA-N
MW388.84 g/mol
LogP3.16
Rot. Bonds4

About 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetamide

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 30291511) has the molecular formula C17H13ClN4O3S and a molecular weight of 388.84 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID30291511
Molecular FormulaC17H13ClN4O3S
Molecular Weight388.84 g/mol
Exact Mass388.04
IUPAC Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1nc(-c2ccc[nH]2)cs1
InChIInChI=1S/C17H13ClN4O3S/c18-10-3-4-14-13(6-10)22(16(24)8-25-14)7-15(23)21-17-20-12(9-26-17)11-2-1-5-19-11/h1-6,9,19H,7-8H2,(H,20,21,23)
InChIKeyOAZZANLEZOAOSE-UHFFFAOYSA-N
XLogP3.16
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.84
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-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-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]acetamide
CID 21001919
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 43048079
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide
CID 6473257
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
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dichlorophenyl)acetamide
CID 23409530
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 20995409
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 36666966
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 31109847
N-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3494008
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,5-dimethylphenyl)acetamide
CID 967788
4-chloro-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 20995425
N-[5-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-1,3-benzothiazol-2-yl]-2-methylpropanamide
CID 46328788

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetamide (CID 30291511) is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetamide is O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1nc(-c2ccc[nH]2)cs1.
What is the InChIKey of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is OAZZANLEZOAOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O3S/c18-10-3-4-14-13(6-10)22(16(24)8-25-14)7-15(23)21-17-20-12(9-26-17)11-2-1-5-19-11/h1-6,9,19H,7-8H2,(H,20,21,23).
What are the key properties of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetamide?
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 388.84 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 30291511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).