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

C11H12N4OS2 — CID 46985863

IUPACN-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCc1nsc(NC(=O)N2CCc3sccc3C2)n1
InChIInChI=1S/C11H12N4OS2/c1-7-12-10(18-14-7)13-11(16)15-4-2-9-8(6-15)3-5-17-9/h3,5H,2,4,6H2,1H3,(H,12,13,14,16)
InChIKeyABBUEZPUWJBOTI-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.50
Rot. Bonds1

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

N-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 46985863) has the molecular formula C11H12N4OS2 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID46985863
Molecular FormulaC11H12N4OS2
Molecular Weight280.38 g/mol
Exact Mass280.05
IUPAC NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCc1nsc(NC(=O)N2CCc3sccc3C2)n1
InChIInChI=1S/C11H12N4OS2/c1-7-12-10(18-14-7)13-11(16)15-4-2-9-8(6-15)3-5-17-9/h3,5H,2,4,6H2,1H3,(H,12,13,14,16)
InChIKeyABBUEZPUWJBOTI-UHFFFAOYSA-N
XLogP2.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 46985863) is N-(3-methyl-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-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is Cc1nsc(NC(=O)N2CCc3sccc3C2)n1.
What is the InChIKey of N-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is ABBUEZPUWJBOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS2/c1-7-12-10(18-14-7)13-11(16)15-4-2-9-8(6-15)3-5-17-9/h3,5H,2,4,6H2,1H3,(H,12,13,14,16).
What are the key properties of N-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 280.38 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 46985863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).