N-[[2-(2-methoxyethyl)pyrazol-3-yl]-(thiadiazol-4-yl)methyl]ethanamine

C11H17N5OS — CID 114277902

IUPACN-[[2-(2-methoxyethyl)pyrazol-3-yl]-(thiadiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1csnn1)c1ccnn1CCOC
InChIInChI=1S/C11H17N5OS/c1-3-12-11(9-8-18-15-14-9)10-4-5-13-16(10)6-7-17-2/h4-5,8,11-12H,3,6-7H2,1-2H3
InChIKeyJSJZAXSWKNGVAV-UHFFFAOYSA-N
MW267.36 g/mol
LogP1.08
Rot. Bonds7

About N-[[2-(2-methoxyethyl)pyrazol-3-yl]-(thiadiazol-4-yl)methyl]ethanamine

N-[[2-(2-methoxyethyl)pyrazol-3-yl]-(thiadiazol-4-yl)methyl]ethanamine (PubChem CID 114277902) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[[2-(2-methoxyethyl)pyrazol-3-yl]-(thiadiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methoxyethyl)pyrazol-3-yl]-(thiadiazol-4-yl)methyl]ethanamine
PubChem CID114277902
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC NameN-[[2-(2-methoxyethyl)pyrazol-3-yl]-(thiadiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1csnn1)c1ccnn1CCOC
InChIInChI=1S/C11H17N5OS/c1-3-12-11(9-8-18-15-14-9)10-4-5-13-16(10)6-7-17-2/h4-5,8,11-12H,3,6-7H2,1-2H3
InChIKeyJSJZAXSWKNGVAV-UHFFFAOYSA-N
XLogP1.08
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine
CID 114277804
N-[thiadiazol-4-yl(thiophen-2-yl)methyl]ethanamine
CID 105100443
[(2-methylpyrazol-3-yl)-(thiadiazol-4-yl)methyl]hydrazine
CID 105307391
[(4-iodophenyl)-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]hydrazine
CID 114277964
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanamine
CID 105189953
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanol
CID 105132660
N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105184404
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethyl]ethanamine
CID 114647235
1-[2-(2-methoxyethyl)pyrazol-3-yl]-N-methyl-1-pyridazin-4-ylmethanamine
CID 114277909
N-[(2-methoxy-3,4-dimethylphenyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 103435298
3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine
CID 114277839
N-[(1-methylpyrazol-3-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine
CID 114197664

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethyl)pyrazol-3-yl]-(thiadiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[[2-(2-methoxyethyl)pyrazol-3-yl]-(thiadiazol-4-yl)methyl]ethanamine (CID 114277902) is N-[[2-(2-methoxyethyl)pyrazol-3-yl]-(thiadiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methoxyethyl)pyrazol-3-yl]-(thiadiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methoxyethyl)pyrazol-3-yl]-(thiadiazol-4-yl)methyl]ethanamine is CCNC(c1csnn1)c1ccnn1CCOC.
What is the InChIKey of N-[[2-(2-methoxyethyl)pyrazol-3-yl]-(thiadiazol-4-yl)methyl]ethanamine?
The InChIKey is JSJZAXSWKNGVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-3-12-11(9-8-18-15-14-9)10-4-5-13-16(10)6-7-17-2/h4-5,8,11-12H,3,6-7H2,1-2H3.
What are the key properties of N-[[2-(2-methoxyethyl)pyrazol-3-yl]-(thiadiazol-4-yl)methyl]ethanamine?
N-[[2-(2-methoxyethyl)pyrazol-3-yl]-(thiadiazol-4-yl)methyl]ethanamine has a molecular weight of 267.36 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethyl)pyrazol-3-yl]-(thiadiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 114277902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).