7-cyclohexyl-2-(4-ethylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C19H28N4O2S — CID 72838626

IUPAC7-cyclohexyl-2-(4-ethylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1nnsc1C(=O)N1CCC2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C19H28N4O2S/c1-2-15-16(26-21-20-15)17(24)22-12-10-19(13-22)9-6-11-23(18(19)25)14-7-4-3-5-8-14/h14H,2-13H2,1H3
InChIKeyFVKYDIKPBQHYQB-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.89
Rot. Bonds3

About 7-cyclohexyl-2-(4-ethylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-cyclohexyl-2-(4-ethylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72838626) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 7-cyclohexyl-2-(4-ethylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-cyclohexyl-2-(4-ethylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72838626
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name7-cyclohexyl-2-(4-ethylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1nnsc1C(=O)N1CCC2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C19H28N4O2S/c1-2-15-16(26-21-20-15)17(24)22-12-10-19(13-22)9-6-11-23(18(19)25)14-7-4-3-5-8-14/h14H,2-13H2,1H3
InChIKeyFVKYDIKPBQHYQB-UHFFFAOYSA-N
XLogP2.89
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-cyclohexyl-2-(4-ethylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-2-(4-ethylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-cyclohexyl-2-(4-ethylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72838626) is 7-cyclohexyl-2-(4-ethylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-cyclohexyl-2-(4-ethylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-cyclohexyl-2-(4-ethylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CCc1nnsc1C(=O)N1CCC2(CCCN(C3CCCCC3)C2=O)C1.
What is the InChIKey of 7-cyclohexyl-2-(4-ethylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is FVKYDIKPBQHYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-2-15-16(26-21-20-15)17(24)22-12-10-19(13-22)9-6-11-23(18(19)25)14-7-4-3-5-8-14/h14H,2-13H2,1H3.
What are the key properties of 7-cyclohexyl-2-(4-ethylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-cyclohexyl-2-(4-ethylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 376.53 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-2-(4-ethylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72838626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).