7-(2-hydroxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C16H26N4O2S — CID 72839350

IUPAC7-(2-hydroxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)c1nnsc1CN1CCC2(CCCN(CCO)C2=O)C1
InChIInChI=1S/C16H26N4O2S/c1-12(2)14-13(23-18-17-14)10-19-7-5-16(11-19)4-3-6-20(8-9-21)15(16)22/h12,21H,3-11H2,1-2H3
InChIKeyHGEIDQKVPUVKDV-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.47
Rot. Bonds5

About 7-(2-hydroxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

7-(2-hydroxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72839350) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 7-(2-hydroxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-hydroxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72839350
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name7-(2-hydroxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)c1nnsc1CN1CCC2(CCCN(CCO)C2=O)C1
InChIInChI=1S/C16H26N4O2S/c1-12(2)14-13(23-18-17-14)10-19-7-5-16(11-19)4-3-6-20(8-9-21)15(16)22/h12,21H,3-11H2,1-2H3
InChIKeyHGEIDQKVPUVKDV-UHFFFAOYSA-N
XLogP1.47
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-hydroxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72839350) is 7-(2-hydroxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-hydroxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-hydroxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is CC(C)c1nnsc1CN1CCC2(CCCN(CCO)C2=O)C1.
What is the InChIKey of 7-(2-hydroxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is HGEIDQKVPUVKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-12(2)14-13(23-18-17-14)10-19-7-5-16(11-19)4-3-6-20(8-9-21)15(16)22/h12,21H,3-11H2,1-2H3.
What are the key properties of 7-(2-hydroxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(2-hydroxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 338.48 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72839350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).