2-(1-methylpyrazol-4-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine

C9H12N4OS — CID 106921793

IUPAC2-(1-methylpyrazol-4-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
SMILESCn1cc(C(CN)Sc2ncco2)cn1
InChIInChI=1S/C9H12N4OS/c1-13-6-7(5-12-13)8(4-10)15-9-11-2-3-14-9/h2-3,5-6,8H,4,10H2,1H3
InChIKeyXCISUVLGZOSPRI-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.20
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine

2-(1-methylpyrazol-4-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine (PubChem CID 106921793) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
PubChem CID106921793
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name2-(1-methylpyrazol-4-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
SMILESCn1cc(C(CN)Sc2ncco2)cn1
InChIInChI=1S/C9H12N4OS/c1-13-6-7(5-12-13)8(4-10)15-9-11-2-3-14-9/h2-3,5-6,8H,4,10H2,1H3
InChIKeyXCISUVLGZOSPRI-UHFFFAOYSA-N
XLogP1.20
TPSA69.87 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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylsulfanylethanamine
CID 63698333
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
2-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 55016886
(2R)-1-amino-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol
CID 130493422
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872
4-amino-1-(1-methylpyrazol-4-yl)butane-1,2-diol
CID 171880658
2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole
CID 130608822
4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
CID 106927407
N-methyl-1-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60893091
N-butyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43199885
2-(4,4-diethylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 63157076
N-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65376288

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine (CID 106921793) is 2-(1-methylpyrazol-4-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine is Cn1cc(C(CN)Sc2ncco2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The InChIKey is XCISUVLGZOSPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-13-6-7(5-12-13)8(4-10)15-9-11-2-3-14-9/h2-3,5-6,8H,4,10H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
2-(1-methylpyrazol-4-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine has a molecular weight of 224.29 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 106921793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).