2-[[3-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole

C18H25N5S — CID 97370744

IUPAC2-[[3-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole
SMILESCc1ccc(N2CCC3(CCN(Cc4nccs4)CC3)CC2)nn1
InChIInChI=1S/C18H25N5S/c1-15-2-3-16(21-20-15)23-11-6-18(7-12-23)4-9-22(10-5-18)14-17-19-8-13-24-17/h2-3,8,13H,4-7,9-12,14H2,1H3
InChIKeyROVUROABSIHGQJ-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.12
Rot. Bonds3

About 2-[[3-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole

2-[[3-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole (PubChem CID 97370744) has the molecular formula C18H25N5S and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-[[3-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[3-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole
PubChem CID97370744
Molecular FormulaC18H25N5S
Molecular Weight343.50 g/mol
Exact Mass343.18
IUPAC Name2-[[3-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole
SMILESCc1ccc(N2CCC3(CCN(Cc4nccs4)CC3)CC2)nn1
InChIInChI=1S/C18H25N5S/c1-15-2-3-16(21-20-15)23-11-6-18(7-12-23)4-9-22(10-5-18)14-17-19-8-13-24-17/h2-3,8,13H,4-7,9-12,14H2,1H3
InChIKeyROVUROABSIHGQJ-UHFFFAOYSA-N
XLogP3.12
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine
CID 53616426
3-Propan-2-ylsulfanyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine
CID 71862583
1-(6-methylpyridazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine
CID 75419949
3-(6-Methylpyridazin-3-yl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97399502
2-[2-(6-Methylpyridazin-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-1,3-thiazole
CID 97472616
2-Methyl-4-[[3-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole
CID 97950724
N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N,6-dimethyl-3-pyridazinamine
CID 72848090
N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyridazin-3-amine
CID 67454051
N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(1,3-thiazol-2-yl)pyridazin-3-amine
CID 68232550
N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyridazin-3-amine
CID 68233246
N-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methyl]-6-(1,3-thiazol-2-yl)pyridazin-3-amine
CID 71278428
6-[5-(2-aminoprop-2-enyl)-1,3-thiazol-2-yl]-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine
CID 139323979

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[3-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole (CID 97370744) is 2-[[3-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[3-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[3-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole is Cc1ccc(N2CCC3(CCN(Cc4nccs4)CC3)CC2)nn1.
What is the InChIKey of 2-[[3-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole?
The InChIKey is ROVUROABSIHGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5S/c1-15-2-3-16(21-20-15)23-11-6-18(7-12-23)4-9-22(10-5-18)14-17-19-8-13-24-17/h2-3,8,13H,4-7,9-12,14H2,1H3.
What are the key properties of 2-[[3-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole?
2-[[3-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole has a molecular weight of 343.50 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97370744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).