[3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine

C11H10N4S — CID 82166607

IUPAC[3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine
SMILESNCc1cccc(-c2nnc3sccn23)c1
InChIInChI=1S/C11H10N4S/c12-7-8-2-1-3-9(6-8)10-13-14-11-15(10)4-5-16-11/h1-6H,7,12H2
InChIKeyYXSNGIUSBSVARC-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.92
Rot. Bonds2

About [3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine

[3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine (PubChem CID 82166607) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is [3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine
PubChem CID82166607
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name[3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine
SMILESNCc1cccc(-c2nnc3sccn23)c1
InChIInChI=1S/C11H10N4S/c12-7-8-2-1-3-9(6-8)10-13-14-11-15(10)4-5-16-11/h1-6H,7,12H2
InChIKeyYXSNGIUSBSVARC-UHFFFAOYSA-N
XLogP1.92
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine
CID 82166606
7-[[3-(aminomethyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 106485005
2-[3-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]ethanamine
CID 63795477
4-chloro-3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline
CID 82166605
[3-(5-methylthiophen-3-yl)phenyl]methanamine
CID 65100908
[3-(4-methylphenyl)phenyl]methanamine
CID 1392243
[3-(1-propylimidazol-2-yl)phenyl]methanamine
CID 63974354
[3-(thiatriazol-5-yl)phenyl]methanamine
CID 116985710
[3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanamine
CID 82048318
[3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152526
[3-(1-benzothiophen-7-yl)phenyl]methanamine
CID 81154276
(3-pyridin-4-ylphenyl)methanamine;dihydrochloride
CID 23086760

Frequently Asked Questions

What is the IUPAC name of [3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine?
The IUPAC name of [3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine (CID 82166607) is [3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine.
What is the SMILES notation for [3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine?
The canonical SMILES for [3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine is NCc1cccc(-c2nnc3sccn23)c1.
What is the InChIKey of [3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine?
The InChIKey is YXSNGIUSBSVARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c12-7-8-2-1-3-9(6-8)10-13-14-11-15(10)4-5-16-11/h1-6H,7,12H2.
What are the key properties of [3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine?
[3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine has a molecular weight of 230.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine is sourced from PubChem (CID 82166607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).