1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine

C14H23N5S — CID 105158676

IUPAC1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
SMILESCNC(Cc1cc(C)nn1C)c1snnc1C(C)(C)C
InChIInChI=1S/C14H23N5S/c1-9-7-10(19(6)17-9)8-11(15-5)12-13(14(2,3)4)16-18-20-12/h7,11,15H,8H2,1-6H3
InChIKeySUKWDMPWBPRXDT-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.38
Rot. Bonds4

About 1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine

1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine (PubChem CID 105158676) has the molecular formula C14H23N5S and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
PubChem CID105158676
Molecular FormulaC14H23N5S
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
SMILESCNC(Cc1cc(C)nn1C)c1snnc1C(C)(C)C
InChIInChI=1S/C14H23N5S/c1-9-7-10(19(6)17-9)8-11(15-5)12-13(14(2,3)4)16-18-20-12/h7,11,15H,8H2,1-6H3
InChIKeySUKWDMPWBPRXDT-UHFFFAOYSA-N
XLogP2.38
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 104996357
1-(4-tert-butylthiadiazol-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 105109845
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 104996146
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030592
2-(2,5-dimethylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503617
1-(4-tert-butylthiadiazol-5-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105177764
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105158535
2-(3-bromo-5-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine
CID 105169475
1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
CID 105125643
2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105160085
1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
CID 79055746
1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 104996375

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine (CID 105158676) is 1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine is CNC(Cc1cc(C)nn1C)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine?
The InChIKey is SUKWDMPWBPRXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5S/c1-9-7-10(19(6)17-9)8-11(15-5)12-13(14(2,3)4)16-18-20-12/h7,11,15H,8H2,1-6H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine?
1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine has a molecular weight of 293.44 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine is sourced from PubChem (CID 105158676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).