N-[5-amino-2-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C20H24N8OS — CID 57334916

IUPACN-[5-amino-2-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESNc1cnc(N2CCC3(CCNC3)CC2)c(NC(=O)c2csc(-c3cn[nH]c3)n2)c1
InChIInChI=1S/C20H24N8OS/c21-14-7-15(26-18(29)16-11-30-19(27-16)13-8-24-25-9-13)17(23-10-14)28-5-2-20(3-6-28)1-4-22-12-20/h7-11,22H,1-6,12,21H2,(H,24,25)(H,26,29)
InChIKeyLHEFHWFMUKGFSF-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.34
Rot. Bonds4

About N-[5-amino-2-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[5-amino-2-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 57334916) has the molecular formula C20H24N8OS and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[5-amino-2-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-amino-2-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID57334916
Molecular FormulaC20H24N8OS
Molecular Weight424.53 g/mol
Exact Mass424.18
IUPAC NameN-[5-amino-2-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESNc1cnc(N2CCC3(CCNC3)CC2)c(NC(=O)c2csc(-c3cn[nH]c3)n2)c1
InChIInChI=1S/C20H24N8OS/c21-14-7-15(26-18(29)16-11-30-19(27-16)13-8-24-25-9-13)17(23-10-14)28-5-2-20(3-6-28)1-4-22-12-20/h7-11,22H,1-6,12,21H2,(H,24,25)(H,26,29)
InChIKeyLHEFHWFMUKGFSF-UHFFFAOYSA-N
XLogP2.34
TPSA124.85 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[5-amino-2-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[5-amino-2-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967892
N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967832
N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71142454
N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 25098058
N-(1,3-dicyclopropylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129965
N-(3-cyano-1-methylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638741
N-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967893
N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 171600710
N-(2-formyl-5-morpholin-4-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 166778803
N-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129914
N-[4-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-thiazole-4-carboxamide
CID 59332345
N-[1-(1-cyclopropylethyl)-3-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165130029

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-amino-2-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 57334916) is N-[5-amino-2-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-amino-2-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-amino-2-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is Nc1cnc(N2CCC3(CCNC3)CC2)c(NC(=O)c2csc(-c3cn[nH]c3)n2)c1.
What is the InChIKey of N-[5-amino-2-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is LHEFHWFMUKGFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8OS/c21-14-7-15(26-18(29)16-11-30-19(27-16)13-8-24-25-9-13)17(23-10-14)28-5-2-20(3-6-28)1-4-22-12-20/h7-11,22H,1-6,12,21H2,(H,24,25)(H,26,29).
What are the key properties of N-[5-amino-2-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[5-amino-2-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 2.34, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 57334916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).