6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;methane

C20H16ClN5OS — CID 157131848

IUPAC6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;methane
SMILESC.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncsc3c2)n1
InChIInChI=1S/C19H12ClN5OS.CH4/c1-25-5-3-14(24-25)17-11(8-12-15(26)2-4-21-19(12)23-17)10-6-13(20)18-16(7-10)27-9-22-18;/h2-9H,1H3,(H,21,23,26);1H4
InChIKeyAJDZHENAJMIANG-UHFFFAOYSA-N
MW409.90 g/mol
LogP4.89
Rot. Bonds2

About 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;methane

6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;methane (PubChem CID 157131848) has the molecular formula C20H16ClN5OS and a molecular weight of 409.90 g/mol. Its IUPAC name is 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;methane.

Molecular Properties

Compound Name6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;methane
PubChem CID157131848
Molecular FormulaC20H16ClN5OS
Molecular Weight409.90 g/mol
Exact Mass409.08
IUPAC Name6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;methane
SMILESC.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncsc3c2)n1
InChIInChI=1S/C19H12ClN5OS.CH4/c1-25-5-3-14(24-25)17-11(8-12-15(26)2-4-21-19(12)23-17)10-6-13(20)18-16(7-10)27-9-22-18;/h2-9H,1H3,(H,21,23,26);1H4
InChIKeyAJDZHENAJMIANG-UHFFFAOYSA-N
XLogP4.89
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-amino-2-pyridinyl)amino]-N-(2-chloro-6-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 44321063
3-(4-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide
CID 155538686
N-(2-(1H-pyrazol-1-yl)ethyl)-N-(4-chlorobenzo[d]thiazol-2-yl)-3-(methylthio)benzamide
CID 30868388
5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine
CID 137430583
3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 137430736
6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one
CID 137438194
6-(4-chloro-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one
CID 137438743
4-[7-acetamido-3-[6-(dimethylamino)-3-pyridinyl]-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl]-3-chloro-N,N-dimethylbenzamide
CID 44225611
4-[7-acetamido-3-[6-(tert-butylamino)-3-pyridinyl]-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl]-3-chloro-N,N-dimethylbenzamide
CID 44225834
4-[7-acetamido-3-[6-(cyclopropylamino)-3-pyridinyl]-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl]-3-chloro-N,N-dimethylbenzamide
CID 44225835
3-(6-Amino-2,4-dimethyl-3-pyridinyl)-1-[1-(1,3-benzothiazol-2-ylmethyl)pyrazol-4-yl]propan-1-one
CID 58081348
4-[7-acetamido-3-(6-propan-2-yl-3-pyridinyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl]-3-chloro-N,N-dimethylbenzamide
CID 58265512

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;methane?
The IUPAC name of 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;methane (CID 157131848) is 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;methane.
What is the SMILES notation for 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;methane?
The canonical SMILES for 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;methane is C.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncsc3c2)n1.
What is the InChIKey of 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;methane?
The InChIKey is AJDZHENAJMIANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN5OS.CH4/c1-25-5-3-14(24-25)17-11(8-12-15(26)2-4-21-19(12)23-17)10-6-13(20)18-16(7-10)27-9-22-18;/h2-9H,1H3,(H,21,23,26);1H4.
What are the key properties of 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;methane?
6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;methane has a molecular weight of 409.90 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;methane is sourced from PubChem (CID 157131848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).