N-[6-(6-amino-5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide

C15H14N4OS — CID 59251763

IUPACN-[6-(6-amino-5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc(N)c(C)c3)cc2s1
InChIInChI=1S/C15H14N4OS/c1-8-5-11(7-17-14(8)16)10-3-4-12-13(6-10)21-15(19-12)18-9(2)20/h3-7H,1-2H3,(H2,16,17)(H,18,19,20)
InChIKeyLAVQGWCQDPBURO-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.21
Rot. Bonds2

About N-[6-(6-amino-5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide

N-[6-(6-amino-5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 59251763) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[6-(6-amino-5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(6-amino-5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID59251763
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-[6-(6-amino-5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc(N)c(C)c3)cc2s1
InChIInChI=1S/C15H14N4OS/c1-8-5-11(7-17-14(8)16)10-3-4-12-13(6-10)21-15(19-12)18-9(2)20/h3-7H,1-2H3,(H2,16,17)(H,18,19,20)
InChIKeyLAVQGWCQDPBURO-UHFFFAOYSA-N
XLogP3.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpyridin-3-yl]carbamate
CID 134203923
5-(1,3-Benzothiazol-2-yl)pyridin-2-amine
CID 4868360
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
N-(6-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329394
N-(4-methylbenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032589
N-{6-[2-(Methylsulfanyl)pyrimidin-4-Yl]-1,3-Benzothiazol-2-Yl}acetamide
CID 25183031
N-[6-(Pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 44481151
N-[6-[6-Chloro-5-[[(4-fluorophenyl)sulfonyl]amino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 50990924
N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 44623107
n-(6-(6-Chloro-5-(3-(trifluoromethyl)phenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51354879
n-(6-(6-Chloro-5-(3-chlorophenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51354882
N-(6-(6-chloro-5-(4-chlorophenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51354883

Frequently Asked Questions

What is the IUPAC name of N-[6-(6-amino-5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-(6-amino-5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide (CID 59251763) is N-[6-(6-amino-5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-(6-amino-5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-(6-amino-5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3cnc(N)c(C)c3)cc2s1.
What is the InChIKey of N-[6-(6-amino-5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is LAVQGWCQDPBURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-8-5-11(7-17-14(8)16)10-3-4-12-13(6-10)21-15(19-12)18-9(2)20/h3-7H,1-2H3,(H2,16,17)(H,18,19,20).
What are the key properties of N-[6-(6-amino-5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
N-[6-(6-amino-5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 298.37 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6-amino-5-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 59251763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).