2-(4-chloro-1,3-benzothiazol-6-yl)-3-(5-methylthiophen-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one

C19H11ClN4OS2 — CID 154656681

IUPAC2-(4-chloro-1,3-benzothiazol-6-yl)-3-(5-methylthiophen-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCc1ccc(-c2nc3[nH]ccc(=O)c3nc2-c2cc(Cl)c3ncsc3c2)s1
InChIInChI=1S/C19H11ClN4OS2/c1-9-2-3-13(27-9)18-15(23-17-12(25)4-5-21-19(17)24-18)10-6-11(20)16-14(7-10)26-8-22-16/h2-8H,1H3,(H,21,24,25)
InChIKeyYTFDHCACQXLLOA-UHFFFAOYSA-N
MW410.91 g/mol
LogP5.29
Rot. Bonds2

About 2-(4-chloro-1,3-benzothiazol-6-yl)-3-(5-methylthiophen-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one

2-(4-chloro-1,3-benzothiazol-6-yl)-3-(5-methylthiophen-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 154656681) has the molecular formula C19H11ClN4OS2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 2-(4-chloro-1,3-benzothiazol-6-yl)-3-(5-methylthiophen-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

Compound Name2-(4-chloro-1,3-benzothiazol-6-yl)-3-(5-methylthiophen-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one
PubChem CID154656681
Molecular FormulaC19H11ClN4OS2
Molecular Weight410.91 g/mol
Exact Mass410.01
IUPAC Name2-(4-chloro-1,3-benzothiazol-6-yl)-3-(5-methylthiophen-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCc1ccc(-c2nc3[nH]ccc(=O)c3nc2-c2cc(Cl)c3ncsc3c2)s1
InChIInChI=1S/C19H11ClN4OS2/c1-9-2-3-13(27-9)18-15(23-17-12(25)4-5-21-19(17)24-18)10-6-11(20)16-14(7-10)26-8-22-16/h2-8H,1H3,(H,21,24,25)
InChIKeyYTFDHCACQXLLOA-UHFFFAOYSA-N
XLogP5.29
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.91
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-(4-chloro-1,3-benzothiazol-6-yl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-6-one
CID 154657118
2-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657400
2-(4-chloro-1,3-benzothiazol-6-yl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657676
1-[6-Amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one
CID 137430218
5-(4-Chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
CID 137430230
[3-Amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazin-2-yl]-cyclopentylmethanone
CID 137430722
6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137438024
6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
CID 137438117
6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one
CID 137438136

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-benzothiazol-6-yl)-3-(5-methylthiophen-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
The IUPAC name of 2-(4-chloro-1,3-benzothiazol-6-yl)-3-(5-methylthiophen-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one (CID 154656681) is 2-(4-chloro-1,3-benzothiazol-6-yl)-3-(5-methylthiophen-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one.
What is the SMILES notation for 2-(4-chloro-1,3-benzothiazol-6-yl)-3-(5-methylthiophen-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
The canonical SMILES for 2-(4-chloro-1,3-benzothiazol-6-yl)-3-(5-methylthiophen-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one is Cc1ccc(-c2nc3[nH]ccc(=O)c3nc2-c2cc(Cl)c3ncsc3c2)s1.
What is the InChIKey of 2-(4-chloro-1,3-benzothiazol-6-yl)-3-(5-methylthiophen-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
The InChIKey is YTFDHCACQXLLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4OS2/c1-9-2-3-13(27-9)18-15(23-17-12(25)4-5-21-19(17)24-18)10-6-11(20)16-14(7-10)26-8-22-16/h2-8H,1H3,(H,21,24,25).
What are the key properties of 2-(4-chloro-1,3-benzothiazol-6-yl)-3-(5-methylthiophen-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
2-(4-chloro-1,3-benzothiazol-6-yl)-3-(5-methylthiophen-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one has a molecular weight of 410.91 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-benzothiazol-6-yl)-3-(5-methylthiophen-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 154656681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).