1-(4-tert-butylthiadiazol-5-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine

C13H21N5S — CID 105148452

IUPAC1-(4-tert-butylthiadiazol-5-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
SMILESCCn1nccc1C(NC)c1snnc1C(C)(C)C
InChIInChI=1S/C13H21N5S/c1-6-18-9(7-8-15-18)10(14-5)11-12(13(2,3)4)16-17-19-11/h7-8,10,14H,6H2,1-5H3
InChIKeyCDRFWBQOMRIHMH-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.36
Rot. Bonds4

About 1-(4-tert-butylthiadiazol-5-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine

1-(4-tert-butylthiadiazol-5-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine (PubChem CID 105148452) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
PubChem CID105148452
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
SMILESCCn1nccc1C(NC)c1snnc1C(C)(C)C
InChIInChI=1S/C13H21N5S/c1-6-18-9(7-8-15-18)10(14-5)11-12(13(2,3)4)16-17-19-11/h7-8,10,14H,6H2,1-5H3
InChIKeyCDRFWBQOMRIHMH-UHFFFAOYSA-N
XLogP2.36
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-tert-butylthiadiazol-5-yl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 105148326
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 105148734
1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 105148320
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103134552
1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107561888
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 115858110
1-(5-bromofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 115857997
1-(2-ethylpyrazol-3-yl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 105148456
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030592
(2-ethylpyrazol-3-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105098198
1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 81276228
1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 63977212

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine (CID 105148452) is 1-(4-tert-butylthiadiazol-5-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine is CCn1nccc1C(NC)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
The InChIKey is CDRFWBQOMRIHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-6-18-9(7-8-15-18)10(14-5)11-12(13(2,3)4)16-17-19-11/h7-8,10,14H,6H2,1-5H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
1-(4-tert-butylthiadiazol-5-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine has a molecular weight of 279.41 g/mol, XLogP of 2.36, 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)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 105148452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).