1-[2-(6-methoxypyridazin-3-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine

C13H18N4OS — CID 103375123

IUPAC1-[2-(6-methoxypyridazin-3-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCCc1nc(-c2ccc(OC)nn2)sc1CNC
InChIInChI=1S/C13H18N4OS/c1-4-5-9-11(8-14-2)19-13(15-9)10-6-7-12(18-3)17-16-10/h6-7,14H,4-5,8H2,1-3H3
InChIKeyLGBJPVHPDAATII-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.28
Rot. Bonds6

About 1-[2-(6-methoxypyridazin-3-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(6-methoxypyridazin-3-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 103375123) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[2-(6-methoxypyridazin-3-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(6-methoxypyridazin-3-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID103375123
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name1-[2-(6-methoxypyridazin-3-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCCc1nc(-c2ccc(OC)nn2)sc1CNC
InChIInChI=1S/C13H18N4OS/c1-4-5-9-11(8-14-2)19-13(15-9)10-6-7-12(18-3)17-16-10/h6-7,14H,4-5,8H2,1-3H3
InChIKeyLGBJPVHPDAATII-UHFFFAOYSA-N
XLogP2.28
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(6-methoxypyridazin-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103375095
N-[[2-(6-methoxypyridazin-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 103375144
N-[[4-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103375135
1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82432707
N-methyl-1-[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82431617
[2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 103375118
N-[[2-(6-methoxypyrimidin-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 102952840
N-[[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82432649
3-fluoro-4-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]phenol
CID 136889756
N-methyl-1-[4-propyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine
CID 114363499
[2-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 103375114
N-[[2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364132

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methoxypyridazin-3-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(6-methoxypyridazin-3-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 103375123) is 1-[2-(6-methoxypyridazin-3-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(6-methoxypyridazin-3-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(6-methoxypyridazin-3-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine is CCCc1nc(-c2ccc(OC)nn2)sc1CNC.
What is the InChIKey of 1-[2-(6-methoxypyridazin-3-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is LGBJPVHPDAATII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-4-5-9-11(8-14-2)19-13(15-9)10-6-7-12(18-3)17-16-10/h6-7,14H,4-5,8H2,1-3H3.
What are the key properties of 1-[2-(6-methoxypyridazin-3-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(6-methoxypyridazin-3-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 278.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methoxypyridazin-3-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 103375123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).