1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrazol-3-amine

C9H12N4OS — CID 165482461

IUPAC1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrazol-3-amine
SMILESCOCc1nc(Cn2ccc(N)n2)cs1
InChIInChI=1S/C9H12N4OS/c1-14-5-9-11-7(6-15-9)4-13-3-2-8(10)12-13/h2-3,6H,4-5H2,1H3,(H2,10,12)
InChIKeyOALJSQPFFPAIBL-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.12
Rot. Bonds4

About 1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrazol-3-amine

1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrazol-3-amine (PubChem CID 165482461) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrazol-3-amine
PubChem CID165482461
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrazol-3-amine
SMILESCOCc1nc(Cn2ccc(N)n2)cs1
InChIInChI=1S/C9H12N4OS/c1-14-5-9-11-7(6-15-9)4-13-3-2-8(10)12-13/h2-3,6H,4-5H2,1H3,(H2,10,12)
InChIKeyOALJSQPFFPAIBL-UHFFFAOYSA-N
XLogP1.12
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 167935793
1-(thiophen-3-ylmethyl)pyrazol-3-amine
CID 47002679
[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120771298
N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62442544
7-fluoro-6-methoxy-1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]quinolin-4-one
CID 154770255
2-(1-methoxyethyl)-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,3-thiazole
CID 75468243
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 110374734
1-[(2-methoxy-5-methylphenyl)methyl]pyrazol-3-amine
CID 62159764
4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 115652225
4-[(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)methyl]-2-(methoxymethyl)-1,3-thiazole
CID 86800186
1-(pyridin-4-ylmethyl)pyrazol-3-amine
CID 47002773
N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylcyclobutan-1-amine
CID 115671468

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrazol-3-amine?
The IUPAC name of 1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrazol-3-amine (CID 165482461) is 1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrazol-3-amine?
The canonical SMILES for 1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrazol-3-amine is COCc1nc(Cn2ccc(N)n2)cs1.
What is the InChIKey of 1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrazol-3-amine?
The InChIKey is OALJSQPFFPAIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-14-5-9-11-7(6-15-9)4-13-3-2-8(10)12-13/h2-3,6H,4-5H2,1H3,(H2,10,12).
What are the key properties of 1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrazol-3-amine?
1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrazol-3-amine has a molecular weight of 224.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrazol-3-amine is sourced from PubChem (CID 165482461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).