N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C23H18N4O3S — CID 112806734

IUPACN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)C1=O
InChIInChI=1S/C23H18N4O3S/c1-14-23(29)27(17-7-3-4-8-18(17)30-14)13-21(28)26-20-11-10-15(12-24-20)22-25-16-6-2-5-9-19(16)31-22/h2-12,14H,13H2,1H3,(H,24,26,28)
InChIKeyURCGPCXSABBHIJ-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.11
Rot. Bonds4

About N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 112806734) has the molecular formula C23H18N4O3S and a molecular weight of 430.49 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID112806734
Molecular FormulaC23H18N4O3S
Molecular Weight430.49 g/mol
Exact Mass430.11
IUPAC NameN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)C1=O
InChIInChI=1S/C23H18N4O3S/c1-14-23(29)27(17-7-3-4-8-18(17)30-14)13-21(28)26-20-11-10-15(12-24-20)22-25-16-6-2-5-9-19(16)31-22/h2-12,14H,13H2,1H3,(H,24,26,28)
InChIKeyURCGPCXSABBHIJ-UHFFFAOYSA-N
XLogP4.11
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 18209874
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-phenoxyacetamide
CID 112772419
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 24586548
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 71931589
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 71898656
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 17449384
N-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 124607935
2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide
CID 23409985
4-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
CID 23409297
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 24586754
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 3224977
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 33040945

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 112806734) is N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CC1Oc2ccccc2N(CC(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)C1=O.
What is the InChIKey of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is URCGPCXSABBHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S/c1-14-23(29)27(17-7-3-4-8-18(17)30-14)13-21(28)26-20-11-10-15(12-24-20)22-25-16-6-2-5-9-19(16)31-22/h2-12,14H,13H2,1H3,(H,24,26,28).
What are the key properties of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 430.49 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 112806734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).