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

C12H15N3S2 — CID 71925337

IUPAC5-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC(C)c1nsc(N2CCc3sccc3C2)n1
InChIInChI=1S/C12H15N3S2/c1-8(2)11-13-12(17-14-11)15-5-3-10-9(7-15)4-6-16-10/h4,6,8H,3,5,7H2,1-2H3
InChIKeyPDDGGPJLUVWRIB-UHFFFAOYSA-N
MW265.41 g/mol
LogP3.29
Rot. Bonds2

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

5-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 71925337) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is 5-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID71925337
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC Name5-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC(C)c1nsc(N2CCc3sccc3C2)n1
InChIInChI=1S/C12H15N3S2/c1-8(2)11-13-12(17-14-11)15-5-3-10-9(7-15)4-6-16-10/h4,6,8H,3,5,7H2,1-2H3
InChIKeyPDDGGPJLUVWRIB-UHFFFAOYSA-N
XLogP3.29
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62753320
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 55117477
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 106673285
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62765356
2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 113423014
5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylsulfanyl-1,2-thiazol-3-amine
CID 103362170
1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106967755
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanone
CID 62757260
5-[4-(chloromethyl)-6-methyl-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 113378829
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976301
3-propan-2-yl-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,2,4-thiadiazole
CID 133335405
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62764732

Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 71925337) is 5-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is CC(C)c1nsc(N2CCc3sccc3C2)n1.
What is the InChIKey of 5-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is PDDGGPJLUVWRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-8(2)11-13-12(17-14-11)15-5-3-10-9(7-15)4-6-16-10/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of 5-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 265.41 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 71925337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).