N-(3-phenyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C16H14N4OS2 — CID 48761735

IUPACN-(3-phenyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)N1CCc2sccc2C1
InChIInChI=1S/C16H14N4OS2/c21-16(20-8-6-13-12(10-20)7-9-22-13)18-15-17-14(19-23-15)11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2,(H,17,18,19,21)
InChIKeySKEJQCYREPRKGV-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.86
Rot. Bonds2

About N-(3-phenyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-(3-phenyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 48761735) has the molecular formula C16H14N4OS2 and a molecular weight of 342.45 g/mol. Its IUPAC name is N-(3-phenyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-phenyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID48761735
Molecular FormulaC16H14N4OS2
Molecular Weight342.45 g/mol
Exact Mass342.06
IUPAC NameN-(3-phenyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)N1CCc2sccc2C1
InChIInChI=1S/C16H14N4OS2/c21-16(20-8-6-13-12(10-20)7-9-22-13)18-15-17-14(19-23-15)11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2,(H,17,18,19,21)
InChIKeySKEJQCYREPRKGV-UHFFFAOYSA-N
XLogP3.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-phenyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 48761735) is N-(3-phenyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-phenyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-phenyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(Nc1nc(-c2ccccc2)ns1)N1CCc2sccc2C1.
What is the InChIKey of N-(3-phenyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is SKEJQCYREPRKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS2/c21-16(20-8-6-13-12(10-20)7-9-22-13)18-15-17-14(19-23-15)11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2,(H,17,18,19,21).
What are the key properties of N-(3-phenyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-(3-phenyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 48761735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).