[3-(2-methylpropyl)phenyl]-(thiadiazol-4-yl)methanamine

C13H17N3S — CID 105188049

IUPAC[3-(2-methylpropyl)phenyl]-(thiadiazol-4-yl)methanamine
SMILESCC(C)Cc1cccc(C(N)c2csnn2)c1
InChIInChI=1S/C13H17N3S/c1-9(2)6-10-4-3-5-11(7-10)13(14)12-8-17-16-15-12/h3-5,7-9,13H,6,14H2,1-2H3
InChIKeyIYNSMUSLKBLVPE-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.78
Rot. Bonds4

About [3-(2-methylpropyl)phenyl]-(thiadiazol-4-yl)methanamine

[3-(2-methylpropyl)phenyl]-(thiadiazol-4-yl)methanamine (PubChem CID 105188049) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is [3-(2-methylpropyl)phenyl]-(thiadiazol-4-yl)methanamine.

Molecular Properties

Compound Name[3-(2-methylpropyl)phenyl]-(thiadiazol-4-yl)methanamine
PubChem CID105188049
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name[3-(2-methylpropyl)phenyl]-(thiadiazol-4-yl)methanamine
SMILESCC(C)Cc1cccc(C(N)c2csnn2)c1
InChIInChI=1S/C13H17N3S/c1-9(2)6-10-4-3-5-11(7-10)13(14)12-8-17-16-15-12/h3-5,7-9,13H,6,14H2,1-2H3
InChIKeyIYNSMUSLKBLVPE-UHFFFAOYSA-N
XLogP2.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105188050
(5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544376
(2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107969258
[3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine
CID 116545007
(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543839
(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543886
(4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 114330154
(4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543817
[3-(2-methylpropyl)phenyl]-(2-methylpyrazol-3-yl)methanamine
CID 105188165
1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
CID 116543879
[[3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
CID 105340754
(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050742

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)phenyl]-(thiadiazol-4-yl)methanamine?
The IUPAC name of [3-(2-methylpropyl)phenyl]-(thiadiazol-4-yl)methanamine (CID 105188049) is [3-(2-methylpropyl)phenyl]-(thiadiazol-4-yl)methanamine.
What is the SMILES notation for [3-(2-methylpropyl)phenyl]-(thiadiazol-4-yl)methanamine?
The canonical SMILES for [3-(2-methylpropyl)phenyl]-(thiadiazol-4-yl)methanamine is CC(C)Cc1cccc(C(N)c2csnn2)c1.
What is the InChIKey of [3-(2-methylpropyl)phenyl]-(thiadiazol-4-yl)methanamine?
The InChIKey is IYNSMUSLKBLVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9(2)6-10-4-3-5-11(7-10)13(14)12-8-17-16-15-12/h3-5,7-9,13H,6,14H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)phenyl]-(thiadiazol-4-yl)methanamine?
[3-(2-methylpropyl)phenyl]-(thiadiazol-4-yl)methanamine has a molecular weight of 247.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)phenyl]-(thiadiazol-4-yl)methanamine is sourced from PubChem (CID 105188049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).