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

C11H10N4S — CID 82166606

IUPAC[4-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nnc3sccn23)cc1
InChIInChI=1S/C11H10N4S/c12-7-8-1-3-9(4-2-8)10-13-14-11-15(10)5-6-16-11/h1-6H,7,12H2
InChIKeyHIVWFPFDTCGVJR-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.92
Rot. Bonds2

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

[4-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine (PubChem CID 82166606) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is [4-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine
PubChem CID82166606
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name[4-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nnc3sccn23)cc1
InChIInChI=1S/C11H10N4S/c12-7-8-1-3-9(4-2-8)10-13-14-11-15(10)5-6-16-11/h1-6H,7,12H2
InChIKeyHIVWFPFDTCGVJR-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

[3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine
CID 82166607
3-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 82479405
[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)phenyl]methanamine
CID 82166732
4-[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 137006529
[4-(1-methyltetrazol-5-yl)phenyl]methanamine
CID 82228462
[4-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methanamine
CID 82343032
[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine
CID 106485625
[4-(1-butyltetrazol-5-yl)phenyl]methanamine
CID 82228437
6-(4-methylphenyl)-5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 132581539
[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine
CID 62696261
[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]methanamine
CID 61362180
2-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]ethanamine
CID 43665678

Frequently Asked Questions

What is the IUPAC name of [4-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine?
The IUPAC name of [4-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine (CID 82166606) is [4-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine.
What is the SMILES notation for [4-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine?
The canonical SMILES for [4-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine is NCc1ccc(-c2nnc3sccn23)cc1.
What is the InChIKey of [4-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine?
The InChIKey is HIVWFPFDTCGVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c12-7-8-1-3-9(4-2-8)10-13-14-11-15(10)5-6-16-11/h1-6H,7,12H2.
What are the key properties of [4-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine?
[4-([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 [4-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine is sourced from PubChem (CID 82166606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).