2-[3-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-2H-indazol-5-yl]-4-methyl-1,3-thiazole

C19H23N5S — CID 67081925

IUPAC2-[3-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-2H-indazol-5-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2ccc3n[nH]c(CN4CCN5CCC4CC5)c3c2)n1
InChIInChI=1S/C19H23N5S/c1-13-12-25-19(20-13)14-2-3-17-16(10-14)18(22-21-17)11-24-9-8-23-6-4-15(24)5-7-23/h2-3,10,12,15H,4-9,11H2,1H3,(H,21,22)
InChIKeyFOYDYAHBIWFPRQ-UHFFFAOYSA-N
MW353.50 g/mol
LogP3.27
Rot. Bonds3

About 2-[3-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-2H-indazol-5-yl]-4-methyl-1,3-thiazole

2-[3-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-2H-indazol-5-yl]-4-methyl-1,3-thiazole (PubChem CID 67081925) has the molecular formula C19H23N5S and a molecular weight of 353.50 g/mol. Its IUPAC name is 2-[3-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-2H-indazol-5-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-2H-indazol-5-yl]-4-methyl-1,3-thiazole
PubChem CID67081925
Molecular FormulaC19H23N5S
Molecular Weight353.50 g/mol
Exact Mass353.17
IUPAC Name2-[3-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-2H-indazol-5-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2ccc3n[nH]c(CN4CCN5CCC4CC5)c3c2)n1
InChIInChI=1S/C19H23N5S/c1-13-12-25-19(20-13)14-2-3-17-16(10-14)18(22-21-17)11-24-9-8-23-6-4-15(24)5-7-23/h2-3,10,12,15H,4-9,11H2,1H3,(H,21,22)
InChIKeyFOYDYAHBIWFPRQ-UHFFFAOYSA-N
XLogP3.27
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-2H-indazol-5-yl]-4-methyl-1,3-thiazole with MolForge

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Related Compounds

4-(1H-indazol-5-yl)-2-methylthiazole
CID 25167076
2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(1H-indazol-7-ylmethyl)ethanamine
CID 75377665
(1S*,5R*)-6-(1H-indol-5-ylmethyl)-3-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 133129431
2-[(2S)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-yl]-4-methyl-1,3-thiazole
CID 164643158
N-(2H-indazol-3-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 177663225
2-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]-1,3-benzothiazole
CID 177664709
4-(2-fluorophenyl)-2-(1H-indazol-3-yl)-1,3-thiazole
CID 22259161
4-(3-fluorophenyl)-2-(1H-indazol-3-yl)-1,3-thiazole
CID 22259216
4-(3,4-difluorophenyl)-2-(1H-indazol-3-yl)-1,3-thiazole
CID 22259219
2-(7-fluoro-2H-indazol-3-yl)-5-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole
CID 22259225
2-[[5-(3-fluoro-2-pyridinyl)-2H-indazol-3-yl]methyl]-1,3-thiazole
CID 58540689
N,N-dimethyl-1-[[2-(7-methyl-2H-indazol-3-yl)-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine
CID 69806311

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-2H-indazol-5-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[3-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-2H-indazol-5-yl]-4-methyl-1,3-thiazole (CID 67081925) is 2-[3-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-2H-indazol-5-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[3-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-2H-indazol-5-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[3-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-2H-indazol-5-yl]-4-methyl-1,3-thiazole is Cc1csc(-c2ccc3n[nH]c(CN4CCN5CCC4CC5)c3c2)n1.
What is the InChIKey of 2-[3-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-2H-indazol-5-yl]-4-methyl-1,3-thiazole?
The InChIKey is FOYDYAHBIWFPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5S/c1-13-12-25-19(20-13)14-2-3-17-16(10-14)18(22-21-17)11-24-9-8-23-6-4-15(24)5-7-23/h2-3,10,12,15H,4-9,11H2,1H3,(H,21,22).
What are the key properties of 2-[3-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-2H-indazol-5-yl]-4-methyl-1,3-thiazole?
2-[3-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-2H-indazol-5-yl]-4-methyl-1,3-thiazole has a molecular weight of 353.50 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-2H-indazol-5-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 67081925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).