1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine

C11H16N4OS — CID 146106309

IUPAC1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
SMILESCOc1nscc1C(C)NCc1cc(C)[nH]n1
InChIInChI=1S/C11H16N4OS/c1-7-4-9(14-13-7)5-12-8(2)10-6-17-15-11(10)16-3/h4,6,8,12H,5H2,1-3H3,(H,13,14)
InChIKeyLHWUPAQIQIQPKJ-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.03
Rot. Bonds5

About 1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine

1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine (PubChem CID 146106309) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
PubChem CID146106309
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
SMILESCOc1nscc1C(C)NCc1cc(C)[nH]n1
InChIInChI=1S/C11H16N4OS/c1-7-4-9(14-13-7)5-12-8(2)10-6-17-15-11(10)16-3/h4,6,8,12H,5H2,1-3H3,(H,13,14)
InChIKeyLHWUPAQIQIQPKJ-UHFFFAOYSA-N
XLogP2.03
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
CID 146106306
3-[[1-(3-methoxy-1,2-thiazol-4-yl)ethylamino]methyl]phenol
CID 167839143
N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-1-(3-methoxy-1,2-thiazol-4-yl)ethanamine
CID 146144878
(2S)-2-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propane-1,2-diamine
CID 104867583
(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
CID 1419095
ethane;N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
CID 171515765
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 112688776
(1R)-1-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781229
2-methoxy-5-[(5-methyl-1H-pyrazol-3-yl)methyl]aniline
CID 82471882
1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride
CID 170893704
(5-methyl-1H-pyrazol-3-yl)methanamine;hydrochloride
CID 12983921
3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole
CID 82076606

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine (CID 146106309) is 1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine is COc1nscc1C(C)NCc1cc(C)[nH]n1.
What is the InChIKey of 1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
The InChIKey is LHWUPAQIQIQPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-7-4-9(14-13-7)5-12-8(2)10-6-17-15-11(10)16-3/h4,6,8,12H,5H2,1-3H3,(H,13,14).
What are the key properties of 1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine?
1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine has a molecular weight of 252.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 146106309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).