N-[[2-(6-methoxypyridazin-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine

C15H22N4OS — CID 103375144

IUPACN-[[2-(6-methoxypyridazin-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccc(OC)nn2)nc1CC(C)C
InChIInChI=1S/C15H22N4OS/c1-5-16-9-13-12(8-10(2)3)17-15(21-13)11-6-7-14(20-4)19-18-11/h6-7,10,16H,5,8-9H2,1-4H3
InChIKeyWMTYIRNBXLVINT-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.92
Rot. Bonds7

About N-[[2-(6-methoxypyridazin-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(6-methoxypyridazin-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 103375144) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-[[2-(6-methoxypyridazin-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(6-methoxypyridazin-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID103375144
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-[[2-(6-methoxypyridazin-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccc(OC)nn2)nc1CC(C)C
InChIInChI=1S/C15H22N4OS/c1-5-16-9-13-12(8-10(2)3)17-15(21-13)11-6-7-14(20-4)19-18-11/h6-7,10,16H,5,8-9H2,1-4H3
InChIKeyWMTYIRNBXLVINT-UHFFFAOYSA-N
XLogP2.92
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-(6-methoxypyridazin-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[4-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103375135
1-[2-(6-methoxypyridazin-3-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103375123
N-[[2-ethyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368564
N-[[2-(2,4-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368646
N-[[4-(2-methylpropyl)-2-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368491
1-[2-(6-methoxypyridazin-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103375095
N-[[2-(2-fluoro-5-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107932057
[2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 103375118
N-[[2-(3-bromo-5-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368711
N-[[4-(2-methylpropyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368777
N-[[2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368957
N-[[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82432649

Frequently Asked Questions

What is the IUPAC name of N-[[2-(6-methoxypyridazin-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(6-methoxypyridazin-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 103375144) is N-[[2-(6-methoxypyridazin-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(6-methoxypyridazin-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(6-methoxypyridazin-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(-c2ccc(OC)nn2)nc1CC(C)C.
What is the InChIKey of N-[[2-(6-methoxypyridazin-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is WMTYIRNBXLVINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-5-16-9-13-12(8-10(2)3)17-15(21-13)11-6-7-14(20-4)19-18-11/h6-7,10,16H,5,8-9H2,1-4H3.
What are the key properties of N-[[2-(6-methoxypyridazin-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(6-methoxypyridazin-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 306.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6-methoxypyridazin-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 103375144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).