(4-tert-butylthiadiazol-5-yl)-(2-cyclobutylphenyl)methanamine

C17H23N3S — CID 105188819

IUPAC(4-tert-butylthiadiazol-5-yl)-(2-cyclobutylphenyl)methanamine
SMILESCC(C)(C)c1nnsc1C(N)c1ccccc1C1CCC1
InChIInChI=1S/C17H23N3S/c1-17(2,3)16-15(21-20-19-16)14(18)13-10-5-4-9-12(13)11-7-6-8-11/h4-5,9-11,14H,6-8,18H2,1-3H3
InChIKeyWPMGUQFDUXJRRM-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.15
Rot. Bonds3

About (4-tert-butylthiadiazol-5-yl)-(2-cyclobutylphenyl)methanamine

(4-tert-butylthiadiazol-5-yl)-(2-cyclobutylphenyl)methanamine (PubChem CID 105188819) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-(2-cyclobutylphenyl)methanamine.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-(2-cyclobutylphenyl)methanamine
PubChem CID105188819
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name(4-tert-butylthiadiazol-5-yl)-(2-cyclobutylphenyl)methanamine
SMILESCC(C)(C)c1nnsc1C(N)c1ccccc1C1CCC1
InChIInChI=1S/C17H23N3S/c1-17(2,3)16-15(21-20-19-16)14(18)13-10-5-4-9-12(13)11-7-6-8-11/h4-5,9-11,14H,6-8,18H2,1-3H3
InChIKeyWPMGUQFDUXJRRM-UHFFFAOYSA-N
XLogP4.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-tert-butylthiadiazol-5-yl)-(2-ethoxyphenyl)methanamine
CID 105144930
(2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 114602556
(2-cyclobutylphenyl)-(4-methylphenyl)methanamine
CID 114602558
(2-cyclobutylphenyl)-pyridin-4-ylmethanamine
CID 114602569
(2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503001
(2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine
CID 114604077
(2-cyclobutylphenyl)-(1,3-thiazol-4-yl)methanamine
CID 114604148
(2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine
CID 105052284
(2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine
CID 107946938
(5-tert-butylthiophen-2-yl)-(2-cyclobutylphenyl)methanol
CID 114601532
(2-cyclobutylphenyl)-cyclopropylmethanamine
CID 114602603
(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine
CID 114604111

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-(2-cyclobutylphenyl)methanamine?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-(2-cyclobutylphenyl)methanamine (CID 105188819) is (4-tert-butylthiadiazol-5-yl)-(2-cyclobutylphenyl)methanamine.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-(2-cyclobutylphenyl)methanamine?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-(2-cyclobutylphenyl)methanamine is CC(C)(C)c1nnsc1C(N)c1ccccc1C1CCC1.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-(2-cyclobutylphenyl)methanamine?
The InChIKey is WPMGUQFDUXJRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-17(2,3)16-15(21-20-19-16)14(18)13-10-5-4-9-12(13)11-7-6-8-11/h4-5,9-11,14H,6-8,18H2,1-3H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-(2-cyclobutylphenyl)methanamine?
(4-tert-butylthiadiazol-5-yl)-(2-cyclobutylphenyl)methanamine has a molecular weight of 301.46 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylthiadiazol-5-yl)-(2-cyclobutylphenyl)methanamine is sourced from PubChem (CID 105188819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).