6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one

C18H11N5OS2 — CID 137438406

IUPAC6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1nnc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)s1
InChIInChI=1S/C18H11N5OS2/c1-9-22-23-18(26-9)16-11(7-12-14(24)4-5-19-17(12)21-16)10-2-3-13-15(6-10)25-8-20-13/h2-8H,1H3,(H,19,21,24)
InChIKeyKIHWHCNTADZXSW-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.03
Rot. Bonds2

About 6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one

6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 137438406) has the molecular formula C18H11N5OS2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one
PubChem CID137438406
Molecular FormulaC18H11N5OS2
Molecular Weight377.45 g/mol
Exact Mass377.04
IUPAC Name6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1nnc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)s1
InChIInChI=1S/C18H11N5OS2/c1-9-22-23-18(26-9)16-11(7-12-14(24)4-5-19-17(12)21-16)10-2-3-13-15(6-10)25-8-20-13/h2-8H,1H3,(H,19,21,24)
InChIKeyKIHWHCNTADZXSW-UHFFFAOYSA-N
XLogP4.03
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(1,3-benzothiazol-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
CID 154605008
7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438504
3-[2-(1,3-benzothiazol-6-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]benzonitrile
CID 154657223
7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137423248
2-(4-chloro-1,3-benzothiazol-6-yl)-3-(5-methylthiophen-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656681
7-(1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137437968
2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
CID 154604994
7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438402
3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
CID 154605029
6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinoline-2-carbonitrile
CID 137438727
6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one
CID 137438212
3-[3-(1,3-benzothiazol-6-yl)-7-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
CID 154604929

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one (CID 137438406) is 6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one is Cc1nnc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)s1.
What is the InChIKey of 6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is KIHWHCNTADZXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5OS2/c1-9-22-23-18(26-9)16-11(7-12-14(24)4-5-19-17(12)21-16)10-2-3-13-15(6-10)25-8-20-13/h2-8H,1H3,(H,19,21,24).
What are the key properties of 6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one?
6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 377.45 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).