N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C18H24N6OS — CID 56905192

IUPACN-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCCc1csc(-c2ncccn2)n1)C1CC2(CCNCC2)CN1
InChIInChI=1S/C18H24N6OS/c25-16(14-10-18(12-23-14)3-8-19-9-4-18)22-7-2-13-11-26-17(24-13)15-20-5-1-6-21-15/h1,5-6,11,14,19,23H,2-4,7-10,12H2,(H,22,25)
InChIKeyBFAPVYCLHFJSIX-UHFFFAOYSA-N
MW372.50 g/mol
LogP0.99
Rot. Bonds5

About N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56905192) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56905192
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC NameN-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCCc1csc(-c2ncccn2)n1)C1CC2(CCNCC2)CN1
InChIInChI=1S/C18H24N6OS/c25-16(14-10-18(12-23-14)3-8-19-9-4-18)22-7-2-13-11-26-17(24-13)15-20-5-1-6-21-15/h1,5-6,11,14,19,23H,2-4,7-10,12H2,(H,22,25)
InChIKeyBFAPVYCLHFJSIX-UHFFFAOYSA-N
XLogP0.99
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-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-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56905192) is N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is O=C(NCCc1csc(-c2ncccn2)n1)C1CC2(CCNCC2)CN1.
What is the InChIKey of N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is BFAPVYCLHFJSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c25-16(14-10-18(12-23-14)3-8-19-9-4-18)22-7-2-13-11-26-17(24-13)15-20-5-1-6-21-15/h1,5-6,11,14,19,23H,2-4,7-10,12H2,(H,22,25).
What are the key properties of N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 372.50 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56905192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).