(4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine

C17H25N3S — CID 105188050

IUPAC(4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)c2snnc2C(C)(C)C)c1
InChIInChI=1S/C17H25N3S/c1-11(2)9-12-7-6-8-13(10-12)14(18)15-16(17(3,4)5)19-20-21-15/h6-8,10-11,14H,9,18H2,1-5H3
InChIKeyOZWVHTHDYKFJTH-UHFFFAOYSA-N
MW303.48 g/mol
LogP4.08
Rot. Bonds4

About (4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine

(4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 105188050) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID105188050
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC Name(4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)c2snnc2C(C)(C)C)c1
InChIInChI=1S/C17H25N3S/c1-11(2)9-12-7-6-8-13(10-12)14(18)15-16(17(3,4)5)19-20-21-15/h6-8,10-11,14H,9,18H2,1-5H3
InChIKeyOZWVHTHDYKFJTH-UHFFFAOYSA-N
XLogP4.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2-methylpropyl)phenyl]-(thiadiazol-4-yl)methanamine
CID 105188049
(4-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 105131171
[[3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
CID 105340754
3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 112705581
[3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine
CID 116545007
1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol
CID 105087087
(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543839
(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543886
(2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107969258
1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine
CID 105190570
(5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544376
(2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107946916

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine (CID 105188050) is (4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine is CC(C)Cc1cccc(C(N)c2snnc2C(C)(C)C)c1.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is OZWVHTHDYKFJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-11(2)9-12-7-6-8-13(10-12)14(18)15-16(17(3,4)5)19-20-21-15/h6-8,10-11,14H,9,18H2,1-5H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine?
(4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine has a molecular weight of 303.48 g/mol, XLogP of 4.08, 4 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)-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 105188050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).