N-[4-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide

C15H13N3O2S — CID 118903042

IUPACN-[4-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide
SMILESCOc1ccc2nc(-c3ccncc3NC(C)=O)sc2c1
InChIInChI=1S/C15H13N3O2S/c1-9(19)17-13-8-16-6-5-11(13)15-18-12-4-3-10(20-2)7-14(12)21-15/h3-8H,1-2H3,(H,17,19)
InChIKeyAZAYPOAVWWHCHY-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.33
Rot. Bonds3

About N-[4-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide

N-[4-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide (PubChem CID 118903042) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[4-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide
PubChem CID118903042
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-[4-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide
SMILESCOc1ccc2nc(-c3ccncc3NC(C)=O)sc2c1
InChIInChI=1S/C15H13N3O2S/c1-9(19)17-13-8-16-6-5-11(13)15-18-12-4-3-10(20-2)7-14(12)21-15/h3-8H,1-2H3,(H,17,19)
InChIKeyAZAYPOAVWWHCHY-UHFFFAOYSA-N
XLogP3.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 46845966
3-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carbonitrile
CID 118902934
2-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244835
3-fluoro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenol
CID 136751643
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-[1-(3-methoxy-4-pyridinyl)ethyl]urea
CID 126777839
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide
CID 57393591
N-[4-(1,3-benzothiazol-2-yl)-3-methylphenyl]-3-methoxybenzamide
CID 46364016
4-bromo-2-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 79512202
4-iodo-2-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 79512098
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine
CID 24804067

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide?
The IUPAC name of N-[4-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide (CID 118903042) is N-[4-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[4-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide is COc1ccc2nc(-c3ccncc3NC(C)=O)sc2c1.
What is the InChIKey of N-[4-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide?
The InChIKey is AZAYPOAVWWHCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9(19)17-13-8-16-6-5-11(13)15-18-12-4-3-10(20-2)7-14(12)21-15/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-[4-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide?
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide has a molecular weight of 299.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 118903042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).