2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

C14H22ClN5S — CID 105158843

IUPAC2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCCNC(Cc1c(Cl)c(C)nn1C)c1snnc1C(C)C
InChIInChI=1S/C14H22ClN5S/c1-6-16-10(14-13(8(2)3)17-19-21-14)7-11-12(15)9(4)18-20(11)5/h8,10,16H,6-7H2,1-5H3
InChIKeyFPLBWHMCFAYPLK-UHFFFAOYSA-N
MW327.89 g/mol
LogP3.25
Rot. Bonds6

About 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (PubChem CID 105158843) has the molecular formula C14H22ClN5S and a molecular weight of 327.89 g/mol. Its IUPAC name is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
PubChem CID105158843
Molecular FormulaC14H22ClN5S
Molecular Weight327.89 g/mol
Exact Mass327.13
IUPAC Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCCNC(Cc1c(Cl)c(C)nn1C)c1snnc1C(C)C
InChIInChI=1S/C14H22ClN5S/c1-6-16-10(14-13(8(2)3)17-19-21-14)7-11-12(15)9(4)18-20(11)5/h8,10,16H,6-7H2,1-5H3
InChIKeyFPLBWHMCFAYPLK-UHFFFAOYSA-N
XLogP3.25
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.89
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105106544
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105158761
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105160957
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79783715
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-3-methyl-4-methylsulfanylbutan-2-amine
CID 114221990
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530910
N-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105158823
1-(3-bromo-5-methylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethylethanamine
CID 104996502
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 104996741
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105158795
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105125386
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105114758

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (CID 105158843) is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is CCNC(Cc1c(Cl)c(C)nn1C)c1snnc1C(C)C.
What is the InChIKey of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The InChIKey is FPLBWHMCFAYPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5S/c1-6-16-10(14-13(8(2)3)17-19-21-14)7-11-12(15)9(4)18-20(11)5/h8,10,16H,6-7H2,1-5H3.
What are the key properties of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine has a molecular weight of 327.89 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105158843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).