1-[6-(1,3-benzothiazol-6-ylsulfonyl)-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-2-[6-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-1,2-di(quinolin-3-yl)hydrazine

C46H38N10O4S4 — CID 91489824

IUPAC1-[6-(1,3-benzothiazol-6-ylsulfonyl)-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-2-[6-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-1,2-di(quinolin-3-yl)hydrazine
SMILESCc1nc(C)c(S(=O)(=O)N2CCc3c(ccnc3N(c3cnc4ccccc4c3)N(c3cnc4ccccc4c3)c3nccc4c3CCN(S(=O)(=O)c3ccc5ncsc5c3)C4)C2)s1
InChIInChI=1S/C46H38N10O4S4/c1-29-46(62-30(2)52-29)64(59,60)54-20-16-39-34(27-54)14-18-48-45(39)56(36-22-32-8-4-6-10-41(32)50-25-36)55(35-21-31-7-3-5-9-40(31)49-24-35)44-38-15-19-53(26-33(38)13-17-47-44)63(57,58)37-11-12-42-43(23-37)61-28-51-42/h3-14,17-18,21-25,28H,15-16,19-20,26-27H2,1-2H3
InChIKeyASHKVRDKNFWSHJ-UHFFFAOYSA-N
MW923.14 g/mol
LogP8.64
Rot. Bonds9

About 1-[6-(1,3-benzothiazol-6-ylsulfonyl)-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-2-[6-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-1,2-di(quinolin-3-yl)hydrazine

1-[6-(1,3-benzothiazol-6-ylsulfonyl)-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-2-[6-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-1,2-di(quinolin-3-yl)hydrazine (PubChem CID 91489824) has the molecular formula C46H38N10O4S4 and a molecular weight of 923.14 g/mol. Its IUPAC name is 1-[6-(1,3-benzothiazol-6-ylsulfonyl)-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-2-[6-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-1,2-di(quinolin-3-yl)hydrazine.

Molecular Properties

Compound Name1-[6-(1,3-benzothiazol-6-ylsulfonyl)-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-2-[6-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-1,2-di(quinolin-3-yl)hydrazine
PubChem CID91489824
Molecular FormulaC46H38N10O4S4
Molecular Weight923.14 g/mol
Exact Mass922.20
IUPAC Name1-[6-(1,3-benzothiazol-6-ylsulfonyl)-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-2-[6-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-1,2-di(quinolin-3-yl)hydrazine
SMILESCc1nc(C)c(S(=O)(=O)N2CCc3c(ccnc3N(c3cnc4ccccc4c3)N(c3cnc4ccccc4c3)c3nccc4c3CCN(S(=O)(=O)c3ccc5ncsc5c3)C4)C2)s1
InChIInChI=1S/C46H38N10O4S4/c1-29-46(62-30(2)52-29)64(59,60)54-20-16-39-34(27-54)14-18-48-45(39)56(36-22-32-8-4-6-10-41(32)50-25-36)55(35-21-31-7-3-5-9-40(31)49-24-35)44-38-15-19-53(26-33(38)13-17-47-44)63(57,58)37-11-12-42-43(23-37)61-28-51-42/h3-14,17-18,21-25,28H,15-16,19-20,26-27H2,1-2H3
InChIKeyASHKVRDKNFWSHJ-UHFFFAOYSA-N
XLogP8.64
TPSA158.58 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500923.14
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[6-(1,3-benzothiazol-6-ylsulfonyl)-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-2-[6-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-1,2-di(quinolin-3-yl)hydrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,3-benzothiazol-6-ylsulfonyl)-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-2-[6-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-1,2-di(quinolin-3-yl)hydrazine?
The IUPAC name of 1-[6-(1,3-benzothiazol-6-ylsulfonyl)-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-2-[6-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-1,2-di(quinolin-3-yl)hydrazine (CID 91489824) is 1-[6-(1,3-benzothiazol-6-ylsulfonyl)-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-2-[6-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-1,2-di(quinolin-3-yl)hydrazine.
What is the SMILES notation for 1-[6-(1,3-benzothiazol-6-ylsulfonyl)-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-2-[6-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-1,2-di(quinolin-3-yl)hydrazine?
The canonical SMILES for 1-[6-(1,3-benzothiazol-6-ylsulfonyl)-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-2-[6-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-1,2-di(quinolin-3-yl)hydrazine is Cc1nc(C)c(S(=O)(=O)N2CCc3c(ccnc3N(c3cnc4ccccc4c3)N(c3cnc4ccccc4c3)c3nccc4c3CCN(S(=O)(=O)c3ccc5ncsc5c3)C4)C2)s1.
What is the InChIKey of 1-[6-(1,3-benzothiazol-6-ylsulfonyl)-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-2-[6-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-1,2-di(quinolin-3-yl)hydrazine?
The InChIKey is ASHKVRDKNFWSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N10O4S4/c1-29-46(62-30(2)52-29)64(59,60)54-20-16-39-34(27-54)14-18-48-45(39)56(36-22-32-8-4-6-10-41(32)50-25-36)55(35-21-31-7-3-5-9-40(31)49-24-35)44-38-15-19-53(26-33(38)13-17-47-44)63(57,58)37-11-12-42-43(23-37)61-28-51-42/h3-14,17-18,21-25,28H,15-16,19-20,26-27H2,1-2H3.
What are the key properties of 1-[6-(1,3-benzothiazol-6-ylsulfonyl)-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-2-[6-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-1,2-di(quinolin-3-yl)hydrazine?
1-[6-(1,3-benzothiazol-6-ylsulfonyl)-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-2-[6-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-1,2-di(quinolin-3-yl)hydrazine has a molecular weight of 923.14 g/mol, XLogP of 8.64, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,3-benzothiazol-6-ylsulfonyl)-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-2-[6-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-7,8-dihydro-5H-2,6-naphthyridin-1-yl]-1,2-di(quinolin-3-yl)hydrazine is sourced from PubChem (CID 91489824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).