2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]-1-(1,3-thiazol-4-yl)ethanol

C16H21N5OS — CID 126918709

IUPAC2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]-1-(1,3-thiazol-4-yl)ethanol
SMILESOC(CNCC1CN(c2cc3c(nn2)CCC3)C1)c1cscn1
InChIInChI=1S/C16H21N5OS/c22-15(14-9-23-10-18-14)6-17-5-11-7-21(8-11)16-4-12-2-1-3-13(12)19-20-16/h4,9-11,15,17,22H,1-3,5-8H2
InChIKeyKSBZPLYELCODOU-UHFFFAOYSA-N
MW331.45 g/mol
LogP1.18
Rot. Bonds6

About 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]-1-(1,3-thiazol-4-yl)ethanol

2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]-1-(1,3-thiazol-4-yl)ethanol (PubChem CID 126918709) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]-1-(1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]-1-(1,3-thiazol-4-yl)ethanol
PubChem CID126918709
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]-1-(1,3-thiazol-4-yl)ethanol
SMILESOC(CNCC1CN(c2cc3c(nn2)CCC3)C1)c1cscn1
InChIInChI=1S/C16H21N5OS/c22-15(14-9-23-10-18-14)6-17-5-11-7-21(8-11)16-4-12-2-1-3-13(12)19-20-16/h4,9-11,15,17,22H,1-3,5-8H2
InChIKeyKSBZPLYELCODOU-UHFFFAOYSA-N
XLogP1.18
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]-1-(1,3-thiazol-4-yl)ethanol?
The IUPAC name of 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]-1-(1,3-thiazol-4-yl)ethanol (CID 126918709) is 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]-1-(1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]-1-(1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]-1-(1,3-thiazol-4-yl)ethanol is OC(CNCC1CN(c2cc3c(nn2)CCC3)C1)c1cscn1.
What is the InChIKey of 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]-1-(1,3-thiazol-4-yl)ethanol?
The InChIKey is KSBZPLYELCODOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c22-15(14-9-23-10-18-14)6-17-5-11-7-21(8-11)16-4-12-2-1-3-13(12)19-20-16/h4,9-11,15,17,22H,1-3,5-8H2.
What are the key properties of 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]-1-(1,3-thiazol-4-yl)ethanol?
2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]-1-(1,3-thiazol-4-yl)ethanol has a molecular weight of 331.45 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]-1-(1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 126918709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).