4-(thiadiazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine

C9H9N3OS — CID 165479155

IUPAC4-(thiadiazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
SMILESc1cc2c(o1)CCNC2c1csnn1
InChIInChI=1S/C9H9N3OS/c1-3-10-9(7-5-14-12-11-7)6-2-4-13-8(1)6/h2,4-5,9-10H,1,3H2
InChIKeyMBPURRHCVQRLFG-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.37
Rot. Bonds1

About 4-(thiadiazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine

4-(thiadiazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine (PubChem CID 165479155) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 4-(thiadiazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine.

Molecular Properties

Compound Name4-(thiadiazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
PubChem CID165479155
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name4-(thiadiazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
SMILESc1cc2c(o1)CCNC2c1csnn1
InChIInChI=1S/C9H9N3OS/c1-3-10-9(7-5-14-12-11-7)6-2-4-13-8(1)6/h2,4-5,9-10H,1,3H2
InChIKeyMBPURRHCVQRLFG-UHFFFAOYSA-N
XLogP1.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(thiadiazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The IUPAC name of 4-(thiadiazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine (CID 165479155) is 4-(thiadiazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine.
What is the SMILES notation for 4-(thiadiazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The canonical SMILES for 4-(thiadiazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine is c1cc2c(o1)CCNC2c1csnn1.
What is the InChIKey of 4-(thiadiazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The InChIKey is MBPURRHCVQRLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-3-10-9(7-5-14-12-11-7)6-2-4-13-8(1)6/h2,4-5,9-10H,1,3H2.
What are the key properties of 4-(thiadiazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
4-(thiadiazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine has a molecular weight of 207.26 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiadiazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine is sourced from PubChem (CID 165479155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).