N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C15H25N5OS — CID 70738650

IUPACN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCc1nnc(CNC(=O)C2CC3(CCNCC3)CN2C)s1
InChIInChI=1S/C15H25N5OS/c1-3-12-18-19-13(22-12)9-17-14(21)11-8-15(10-20(11)2)4-6-16-7-5-15/h11,16H,3-10H2,1-2H3,(H,17,21)
InChIKeyQBZAQAUSSQIASV-UHFFFAOYSA-N
MW323.47 g/mol
LogP0.79
Rot. Bonds4

About N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 70738650) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID70738650
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCc1nnc(CNC(=O)C2CC3(CCNCC3)CN2C)s1
InChIInChI=1S/C15H25N5OS/c1-3-12-18-19-13(22-12)9-17-14(21)11-8-15(10-20(11)2)4-6-16-7-5-15/h11,16H,3-10H2,1-2H3,(H,17,21)
InChIKeyQBZAQAUSSQIASV-UHFFFAOYSA-N
XLogP0.79
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide 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 N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 70738650) is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide is CCc1nnc(CNC(=O)C2CC3(CCNCC3)CN2C)s1.
What is the InChIKey of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is QBZAQAUSSQIASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-3-12-18-19-13(22-12)9-17-14(21)11-8-15(10-20(11)2)4-6-16-7-5-15/h11,16H,3-10H2,1-2H3,(H,17,21).
What are the key properties of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 323.47 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 70738650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).