N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide

C17H12N4O2S — CID 119105213

IUPACN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(NCc1ccc(-c2ccoc2)nc1)c1ccc2nsnc2c1
InChIInChI=1S/C17H12N4O2S/c22-17(12-2-4-15-16(7-12)21-24-20-15)19-9-11-1-3-14(18-8-11)13-5-6-23-10-13/h1-8,10H,9H2,(H,19,22)
InChIKeyXAIKITZMJUXGSC-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.28
Rot. Bonds4

About N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide

N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 119105213) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID119105213
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC NameN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(NCc1ccc(-c2ccoc2)nc1)c1ccc2nsnc2c1
InChIInChI=1S/C17H12N4O2S/c22-17(12-2-4-15-16(7-12)21-24-20-15)19-9-11-1-3-14(18-8-11)13-5-6-23-10-13/h1-8,10H,9H2,(H,19,22)
InChIKeyXAIKITZMJUXGSC-UHFFFAOYSA-N
XLogP3.28
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide
CID 121022431
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide
CID 121196612
2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide
CID 121196604
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 121196771
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 121196615
2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 121196651
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]cyclohexanecarboxamide
CID 121196766
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 74237063
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 121196825
2-(1,2-benzoxazol-3-yl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 119105233
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 121022451
N-[3-(furan-3-yl)-1H-indazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 155134616

Frequently Asked Questions

What is the IUPAC name of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide (CID 119105213) is N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide is O=C(NCc1ccc(-c2ccoc2)nc1)c1ccc2nsnc2c1.
What is the InChIKey of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is XAIKITZMJUXGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c22-17(12-2-4-15-16(7-12)21-24-20-15)19-9-11-1-3-14(18-8-11)13-5-6-23-10-13/h1-8,10H,9H2,(H,19,22).
What are the key properties of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide?
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 119105213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).