N-[3-(furan-3-yl)-1H-indazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide

C18H11N5O2S — CID 155134616

IUPACN-[3-(furan-3-yl)-1H-indazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1ccc2nsnc2c1
InChIInChI=1S/C18H11N5O2S/c24-18(10-1-3-15-16(7-10)23-26-22-15)19-12-2-4-14-13(8-12)17(21-20-14)11-5-6-25-9-11/h1-9H,(H,19,24)(H,20,21)
InChIKeyPLJCCASPMQXBOM-UHFFFAOYSA-N
MW361.39 g/mol
LogP4.08
Rot. Bonds3

About N-[3-(furan-3-yl)-1H-indazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide

N-[3-(furan-3-yl)-1H-indazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 155134616) has the molecular formula C18H11N5O2S and a molecular weight of 361.39 g/mol. Its IUPAC name is N-[3-(furan-3-yl)-1H-indazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-3-yl)-1H-indazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID155134616
Molecular FormulaC18H11N5O2S
Molecular Weight361.39 g/mol
Exact Mass361.06
IUPAC NameN-[3-(furan-3-yl)-1H-indazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1ccc2nsnc2c1
InChIInChI=1S/C18H11N5O2S/c24-18(10-1-3-15-16(7-10)23-26-22-15)19-12-2-4-14-13(8-12)17(21-20-14)11-5-6-25-9-11/h1-9H,(H,19,24)(H,20,21)
InChIKeyPLJCCASPMQXBOM-UHFFFAOYSA-N
XLogP4.08
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-3-yl)-1H-indazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[3-(furan-3-yl)-1H-indazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide (CID 155134616) is N-[3-(furan-3-yl)-1H-indazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[3-(furan-3-yl)-1H-indazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[3-(furan-3-yl)-1H-indazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide is O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1ccc2nsnc2c1.
What is the InChIKey of N-[3-(furan-3-yl)-1H-indazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is PLJCCASPMQXBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5O2S/c24-18(10-1-3-15-16(7-10)23-26-22-15)19-12-2-4-14-13(8-12)17(21-20-14)11-5-6-25-9-11/h1-9H,(H,19,24)(H,20,21).
What are the key properties of N-[3-(furan-3-yl)-1H-indazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide?
N-[3-(furan-3-yl)-1H-indazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 361.39 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-3-yl)-1H-indazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 155134616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).