N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,2,5-thiadiazol-3-yl)methyl]ethanamine

C11H16ClN5OS — CID 105190037

IUPACN-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
SMILESCCNC(c1cnsn1)c1c(Cl)cnn1CCOC
InChIInChI=1S/C11H16ClN5OS/c1-3-13-10(9-7-15-19-16-9)11-8(12)6-14-17(11)4-5-18-2/h6-7,10,13H,3-5H2,1-2H3
InChIKeyIGVQYZWEUANIEG-UHFFFAOYSA-N
MW301.80 g/mol
LogP1.73
Rot. Bonds7

About N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,2,5-thiadiazol-3-yl)methyl]ethanamine

N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,2,5-thiadiazol-3-yl)methyl]ethanamine (PubChem CID 105190037) has the molecular formula C11H16ClN5OS and a molecular weight of 301.80 g/mol. Its IUPAC name is N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,2,5-thiadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
PubChem CID105190037
Molecular FormulaC11H16ClN5OS
Molecular Weight301.80 g/mol
Exact Mass301.08
IUPAC NameN-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
SMILESCCNC(c1cnsn1)c1c(Cl)cnn1CCOC
InChIInChI=1S/C11H16ClN5OS/c1-3-13-10(9-7-15-19-16-9)11-8(12)6-14-17(11)4-5-18-2/h6-7,10,13H,3-5H2,1-2H3
InChIKeyIGVQYZWEUANIEG-UHFFFAOYSA-N
XLogP1.73
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,2,5-thiadiazol-3-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chlorofuran-3-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine
CID 106693372
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]ethanamine
CID 114652418
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105186864
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N-ethylpropan-1-amine
CID 114652893
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-(2-methylpropylsulfanyl)ethanamine
CID 114653915
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethylheptan-1-amine
CID 105054478
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N,2-diethylhexan-1-amine
CID 105054530
N-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine
CID 105054640
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine
CID 105265036
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 105190004
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 107969315
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]butylhydrazine
CID 105202075

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,2,5-thiadiazol-3-yl)methyl]ethanamine (CID 105190037) is N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,2,5-thiadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,2,5-thiadiazol-3-yl)methyl]ethanamine is CCNC(c1cnsn1)c1c(Cl)cnn1CCOC.
What is the InChIKey of N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
The InChIKey is IGVQYZWEUANIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5OS/c1-3-13-10(9-7-15-19-16-9)11-8(12)6-14-17(11)4-5-18-2/h6-7,10,13H,3-5H2,1-2H3.
What are the key properties of N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,2,5-thiadiazol-3-yl)methyl]ethanamine has a molecular weight of 301.80 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,2,5-thiadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 105190037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).