N-[6-[(3-methyl-2-pyridinyl)methyl]-6-azaspiro[3.4]octan-2-yl]-1,3-thiazole-4-carboxamide

C18H22N4OS — CID 98897312

IUPACN-[6-[(3-methyl-2-pyridinyl)methyl]-6-azaspiro[3.4]octan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cccnc1CN1CCC2(CC(NC(=O)c3cscn3)C2)C1
InChIInChI=1S/C18H22N4OS/c1-13-3-2-5-19-15(13)9-22-6-4-18(11-22)7-14(8-18)21-17(23)16-10-24-12-20-16/h2-3,5,10,12,14H,4,6-9,11H2,1H3,(H,21,23)
InChIKeyWATWTNJSQPHBRH-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.63
Rot. Bonds4

About N-[6-[(3-methyl-2-pyridinyl)methyl]-6-azaspiro[3.4]octan-2-yl]-1,3-thiazole-4-carboxamide

N-[6-[(3-methyl-2-pyridinyl)methyl]-6-azaspiro[3.4]octan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 98897312) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[6-[(3-methyl-2-pyridinyl)methyl]-6-azaspiro[3.4]octan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[(3-methyl-2-pyridinyl)methyl]-6-azaspiro[3.4]octan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID98897312
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC NameN-[6-[(3-methyl-2-pyridinyl)methyl]-6-azaspiro[3.4]octan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cccnc1CN1CCC2(CC(NC(=O)c3cscn3)C2)C1
InChIInChI=1S/C18H22N4OS/c1-13-3-2-5-19-15(13)9-22-6-4-18(11-22)7-14(8-18)21-17(23)16-10-24-12-20-16/h2-3,5,10,12,14H,4,6-9,11H2,1H3,(H,21,23)
InChIKeyWATWTNJSQPHBRH-UHFFFAOYSA-N
XLogP2.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-[(3-methyl-2-pyridinyl)methyl]-6-azaspiro[3.4]octan-2-yl]-1,3-thiazole-4-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-[6-[(3-methyl-2-pyridinyl)methyl]-6-azaspiro[3.4]octan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-[(3-methyl-2-pyridinyl)methyl]-6-azaspiro[3.4]octan-2-yl]-1,3-thiazole-4-carboxamide (CID 98897312) is N-[6-[(3-methyl-2-pyridinyl)methyl]-6-azaspiro[3.4]octan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-[(3-methyl-2-pyridinyl)methyl]-6-azaspiro[3.4]octan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-[(3-methyl-2-pyridinyl)methyl]-6-azaspiro[3.4]octan-2-yl]-1,3-thiazole-4-carboxamide is Cc1cccnc1CN1CCC2(CC(NC(=O)c3cscn3)C2)C1.
What is the InChIKey of N-[6-[(3-methyl-2-pyridinyl)methyl]-6-azaspiro[3.4]octan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is WATWTNJSQPHBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-13-3-2-5-19-15(13)9-22-6-4-18(11-22)7-14(8-18)21-17(23)16-10-24-12-20-16/h2-3,5,10,12,14H,4,6-9,11H2,1H3,(H,21,23).
What are the key properties of N-[6-[(3-methyl-2-pyridinyl)methyl]-6-azaspiro[3.4]octan-2-yl]-1,3-thiazole-4-carboxamide?
N-[6-[(3-methyl-2-pyridinyl)methyl]-6-azaspiro[3.4]octan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3-methyl-2-pyridinyl)methyl]-6-azaspiro[3.4]octan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 98897312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).