N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C13H12N4O3S — CID 131938174

IUPACN-(4-methoxy-2,1,3-benzoxadiazol-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(C)n2)c2nonc12
InChIInChI=1S/C13H12N4O3S/c1-7-14-8(6-21-7)5-11(18)15-9-3-4-10(19-2)13-12(9)16-20-17-13/h3-4,6H,5H2,1-2H3,(H,15,18)
InChIKeyNELSWAYVSMKUQP-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.18
Rot. Bonds4

About N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 131938174) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2,1,3-benzoxadiazol-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID131938174
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC NameN-(4-methoxy-2,1,3-benzoxadiazol-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(C)n2)c2nonc12
InChIInChI=1S/C13H12N4O3S/c1-7-14-8(6-21-7)5-11(18)15-9-3-4-10(19-2)13-12(9)16-20-17-13/h3-4,6H,5H2,1-2H3,(H,15,18)
InChIKeyNELSWAYVSMKUQP-UHFFFAOYSA-N
XLogP2.18
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide with MolForge

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Related Compounds

N-(2-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453114
N-(2,5-diethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 35595783
N-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9123420
N-(4-methoxy-3-sulfamoylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4786526
N-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 35595769
N-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 36591038
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29454557
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylphenyl)acetamide
CID 29454554
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 112697373
2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110742865
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)propanamide
CID 131945047

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 131938174) is N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is COc1ccc(NC(=O)Cc2csc(C)n2)c2nonc12.
What is the InChIKey of N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is NELSWAYVSMKUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-7-14-8(6-21-7)5-11(18)15-9-3-4-10(19-2)13-12(9)16-20-17-13/h3-4,6H,5H2,1-2H3,(H,15,18).
What are the key properties of N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 304.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 131938174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).