2-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide

C17H14N4O2S — CID 167956308

IUPAC2-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC1Cc2cccc(C(=O)Nc3nnc(-c4ccccn4)s3)c2O1
InChIInChI=1S/C17H14N4O2S/c1-10-9-11-5-4-6-12(14(11)23-10)15(22)19-17-21-20-16(24-17)13-7-2-3-8-18-13/h2-8,10H,9H2,1H3,(H,19,21,22)
InChIKeyCDKRTFNUGKTBRQ-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.18
Rot. Bonds3

About 2-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide

2-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 167956308) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID167956308
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name2-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC1Cc2cccc(C(=O)Nc3nnc(-c4ccccn4)s3)c2O1
InChIInChI=1S/C17H14N4O2S/c1-10-9-11-5-4-6-12(14(11)23-10)15(22)19-17-21-20-16(24-17)13-7-2-3-8-18-13/h2-8,10H,9H2,1H3,(H,19,21,22)
InChIKeyCDKRTFNUGKTBRQ-UHFFFAOYSA-N
XLogP3.18
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
CID 167744287
2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 167988705
N-[3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55810481
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55979153
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 47857402
2-(2-methylpropoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 167890444
2-methyl-6-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 75415459
2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 55810221
2-(1-methylpyrazol-4-yl)oxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 167804601
4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 55810604
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-dihydro-2-benzofuran-4-carboxamide
CID 167755198
5-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 167804421

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of 2-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide (CID 167956308) is 2-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for 2-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide is CC1Cc2cccc(C(=O)Nc3nnc(-c4ccccn4)s3)c2O1.
What is the InChIKey of 2-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is CDKRTFNUGKTBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-10-9-11-5-4-6-12(14(11)23-10)15(22)19-17-21-20-16(24-17)13-7-2-3-8-18-13/h2-8,10H,9H2,1H3,(H,19,21,22).
What are the key properties of 2-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide?
2-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 167956308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).