[2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

C12H16N4OS — CID 103375118

IUPAC[2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCOc1ccc(-c2nc(C(C)C)c(CN)s2)nn1
InChIInChI=1S/C12H16N4OS/c1-7(2)11-9(6-13)18-12(14-11)8-4-5-10(17-3)16-15-8/h4-5,7H,6,13H2,1-3H3
InChIKeyALOZMSVTBQPKPR-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.19
Rot. Bonds4

About [2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

[2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (PubChem CID 103375118) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is [2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
PubChem CID103375118
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name[2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCOc1ccc(-c2nc(C(C)C)c(CN)s2)nn1
InChIInChI=1S/C12H16N4OS/c1-7(2)11-9(6-13)18-12(14-11)8-4-5-10(17-3)16-15-8/h4-5,7H,6,13H2,1-3H3
InChIKeyALOZMSVTBQPKPR-UHFFFAOYSA-N
XLogP2.19
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 103375114
1-[2-(6-methoxypyridazin-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103375095
[2-(5-bromo-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361381
N-[[2-(6-methoxypyridazin-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 103375144
(4-propan-2-yl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine
CID 114361469
1-[2-(6-methoxypyridazin-3-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103375123
N-[[4-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103375135
1-[2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 102952841
[2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82433800
(2-isoquinolin-1-yl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine
CID 114361405
(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine
CID 114361436
5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392583

Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (CID 103375118) is [2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is COc1ccc(-c2nc(C(C)C)c(CN)s2)nn1.
What is the InChIKey of [2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The InChIKey is ALOZMSVTBQPKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7(2)11-9(6-13)18-12(14-11)8-4-5-10(17-3)16-15-8/h4-5,7H,6,13H2,1-3H3.
What are the key properties of [2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
[2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine has a molecular weight of 264.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 103375118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).