N-(3-methyl-3-azaspiro[5.5]undecan-9-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C19H27N5OS — CID 167925289

IUPACN-(3-methyl-3-azaspiro[5.5]undecan-9-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCN1CCC2(CCC(NC(=O)c3csc(-c4cnn(C)c4)n3)CC2)CC1
InChIInChI=1S/C19H27N5OS/c1-23-9-7-19(8-10-23)5-3-15(4-6-19)21-17(25)16-13-26-18(22-16)14-11-20-24(2)12-14/h11-13,15H,3-10H2,1-2H3,(H,21,25)
InChIKeyCXMAWISPHNTEER-UHFFFAOYSA-N
MW373.53 g/mol
LogP2.93
Rot. Bonds3

About N-(3-methyl-3-azaspiro[5.5]undecan-9-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-(3-methyl-3-azaspiro[5.5]undecan-9-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 167925289) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is N-(3-methyl-3-azaspiro[5.5]undecan-9-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-3-azaspiro[5.5]undecan-9-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID167925289
Molecular FormulaC19H27N5OS
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC NameN-(3-methyl-3-azaspiro[5.5]undecan-9-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCN1CCC2(CCC(NC(=O)c3csc(-c4cnn(C)c4)n3)CC2)CC1
InChIInChI=1S/C19H27N5OS/c1-23-9-7-19(8-10-23)5-3-15(4-6-19)21-17(25)16-13-26-18(22-16)14-11-20-24(2)12-14/h11-13,15H,3-10H2,1-2H3,(H,21,25)
InChIKeyCXMAWISPHNTEER-UHFFFAOYSA-N
XLogP2.93
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-methyl-3-azaspiro[5.5]undecan-9-yl)-2-(1-methylpyrazol-4-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-(3-methyl-3-azaspiro[5.5]undecan-9-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-methyl-3-azaspiro[5.5]undecan-9-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 167925289) is N-(3-methyl-3-azaspiro[5.5]undecan-9-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-methyl-3-azaspiro[5.5]undecan-9-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-methyl-3-azaspiro[5.5]undecan-9-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is CN1CCC2(CCC(NC(=O)c3csc(-c4cnn(C)c4)n3)CC2)CC1.
What is the InChIKey of N-(3-methyl-3-azaspiro[5.5]undecan-9-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is CXMAWISPHNTEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5OS/c1-23-9-7-19(8-10-23)5-3-15(4-6-19)21-17(25)16-13-26-18(22-16)14-11-20-24(2)12-14/h11-13,15H,3-10H2,1-2H3,(H,21,25).
What are the key properties of N-(3-methyl-3-azaspiro[5.5]undecan-9-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-(3-methyl-3-azaspiro[5.5]undecan-9-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 373.53 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-3-azaspiro[5.5]undecan-9-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 167925289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).