2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine

C14H23N5S — CID 105158535

IUPAC2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(Cc1cc(C)nn1C)NCC
InChIInChI=1S/C14H23N5S/c1-5-7-12-14(20-18-16-12)13(15-6-2)9-11-8-10(3)17-19(11)4/h8,13,15H,5-7,9H2,1-4H3
InChIKeyCBDJKSULRVZVNS-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.43
Rot. Bonds7

About 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine

2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine (PubChem CID 105158535) has the molecular formula C14H23N5S and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
PubChem CID105158535
Molecular FormulaC14H23N5S
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(Cc1cc(C)nn1C)NCC
InChIInChI=1S/C14H23N5S/c1-5-7-12-14(20-18-16-12)13(15-6-2)9-11-8-10(3)17-19(11)4/h8,13,15H,5-7,9H2,1-4H3
InChIKeyCBDJKSULRVZVNS-UHFFFAOYSA-N
XLogP2.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105160085
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105160161
2-(2,5-dimethylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
CID 107503912
1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 104996013
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 106867932
1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 105158676
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 104996043
1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 106692336
1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 104996153
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 103043506
2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105111357
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792395

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine (CID 105158535) is 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine is CCCc1nnsc1C(Cc1cc(C)nn1C)NCC.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The InChIKey is CBDJKSULRVZVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5S/c1-5-7-12-14(20-18-16-12)13(15-6-2)9-11-8-10(3)17-19(11)4/h8,13,15H,5-7,9H2,1-4H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine?
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine has a molecular weight of 293.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105158535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).