2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine

C16H20N4S — CID 154829542

IUPAC2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESc1cc2sc(N3CC(N4CC5CCCC5C4)C3)nc2cn1
InChIInChI=1S/C16H20N4S/c1-2-11-7-19(8-12(11)3-1)13-9-20(10-13)16-18-14-6-17-5-4-15(14)21-16/h4-6,11-13H,1-3,7-10H2
InChIKeyNGVIOKFZAIRFRI-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.61
Rot. Bonds2

About 2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine

2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 154829542) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
PubChem CID154829542
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESc1cc2sc(N3CC(N4CC5CCCC5C4)C3)nc2cn1
InChIInChI=1S/C16H20N4S/c1-2-11-7-19(8-12(11)3-1)13-9-20(10-13)16-18-14-6-17-5-4-15(14)21-16/h4-6,11-13H,1-3,7-10H2
InChIKeyNGVIOKFZAIRFRI-UHFFFAOYSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine (CID 154829542) is 2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine is c1cc2sc(N3CC(N4CC5CCCC5C4)C3)nc2cn1.
What is the InChIKey of 2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is NGVIOKFZAIRFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-2-11-7-19(8-12(11)3-1)13-9-20(10-13)16-18-14-6-17-5-4-15(14)21-16/h4-6,11-13H,1-3,7-10H2.
What are the key properties of 2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 300.43 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 154829542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).