9-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1,4-dioxa-9-azaspiro[4.5]decane

C14H20N2O2S — CID 75500686

IUPAC9-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1,4-dioxa-9-azaspiro[4.5]decane
SMILESC1Cc2nc(CN3CCCC4(C3)OCCO4)sc2C1
InChIInChI=1S/C14H20N2O2S/c1-3-11-12(4-1)19-13(15-11)9-16-6-2-5-14(10-16)17-7-8-18-14/h1-10H2
InChIKeyJNTHJVZCMHGCMC-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.97
Rot. Bonds2

About 9-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1,4-dioxa-9-azaspiro[4.5]decane

9-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1,4-dioxa-9-azaspiro[4.5]decane (PubChem CID 75500686) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 9-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1,4-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1,4-dioxa-9-azaspiro[4.5]decane
PubChem CID75500686
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name9-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1,4-dioxa-9-azaspiro[4.5]decane
SMILESC1Cc2nc(CN3CCCC4(C3)OCCO4)sc2C1
InChIInChI=1S/C14H20N2O2S/c1-3-11-12(4-1)19-13(15-11)9-16-6-2-5-14(10-16)17-7-8-18-14/h1-10H2
InChIKeyJNTHJVZCMHGCMC-UHFFFAOYSA-N
XLogP1.97
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1,4-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1,4-dioxa-9-azaspiro[4.5]decane (CID 75500686) is 9-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1,4-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1,4-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1,4-dioxa-9-azaspiro[4.5]decane is C1Cc2nc(CN3CCCC4(C3)OCCO4)sc2C1.
What is the InChIKey of 9-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1,4-dioxa-9-azaspiro[4.5]decane?
The InChIKey is JNTHJVZCMHGCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-11-12(4-1)19-13(15-11)9-16-6-2-5-14(10-16)17-7-8-18-14/h1-10H2.
What are the key properties of 9-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1,4-dioxa-9-azaspiro[4.5]decane?
9-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1,4-dioxa-9-azaspiro[4.5]decane has a molecular weight of 280.39 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1,4-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 75500686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).