N-[1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine

C13H18N4OS — CID 103374746

IUPACN-[1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)c1ccc(OC)nn1
InChIInChI=1S/C13H18N4OS/c1-3-6-14-11(9-13-15-7-8-19-13)10-4-5-12(18-2)17-16-10/h4-5,7-8,11,14H,3,6,9H2,1-2H3
InChIKeyZPRPZDGHBGJYRO-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.23
Rot. Bonds7

About N-[1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine

N-[1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 103374746) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID103374746
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-[1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)c1ccc(OC)nn1
InChIInChI=1S/C13H18N4OS/c1-3-6-14-11(9-13-15-7-8-19-13)10-4-5-12(18-2)17-16-10/h4-5,7-8,11,14H,3,6,9H2,1-2H3
InChIKeyZPRPZDGHBGJYRO-UHFFFAOYSA-N
XLogP2.23
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824684
1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 103373619
N-[1-(2,6-dimethoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015257
N-[1-(6-methoxypyridazin-3-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 103374753
N-[1-(6-methoxypyridazin-3-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 103374712
N-[2-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]propan-1-amine
CID 103374768
N,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline
CID 105169159
N-[1-(2-bromo-5-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169193
N-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 81304178
1-(6-methoxypyridazin-3-yl)-N-propylpent-3-yn-1-amine
CID 103374699
N-[(6-methoxypyridazin-3-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 103374682
1-(6-methoxypyridazin-3-yl)-N-propylhex-4-yn-1-amine
CID 103374819

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 103374746) is N-[1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccs1)c1ccc(OC)nn1.
What is the InChIKey of N-[1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is ZPRPZDGHBGJYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-3-6-14-11(9-13-15-7-8-19-13)10-4-5-12(18-2)17-16-10/h4-5,7-8,11,14H,3,6,9H2,1-2H3.
What are the key properties of N-[1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
N-[1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 278.38 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103374746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).