(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine

C9H8N4S2 — CID 82476476

IUPAC(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine
SMILESNCc1csc2nc(-c3cccs3)nn12
InChIInChI=1S/C9H8N4S2/c10-4-6-5-15-9-11-8(12-13(6)9)7-2-1-3-14-7/h1-3,5H,4,10H2
InChIKeyQKCRZLYEBCDFEB-UHFFFAOYSA-N
MW236.33 g/mol
LogP1.98
Rot. Bonds2

About (2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine

(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine (PubChem CID 82476476) has the molecular formula C9H8N4S2 and a molecular weight of 236.33 g/mol. Its IUPAC name is (2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine.

Molecular Properties

Compound Name(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine
PubChem CID82476476
Molecular FormulaC9H8N4S2
Molecular Weight236.33 g/mol
Exact Mass236.02
IUPAC Name(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine
SMILESNCc1csc2nc(-c3cccs3)nn12
InChIInChI=1S/C9H8N4S2/c10-4-6-5-15-9-11-8(12-13(6)9)7-2-1-3-14-7/h1-3,5H,4,10H2
InChIKeyQKCRZLYEBCDFEB-UHFFFAOYSA-N
XLogP1.98
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
CID 27555449
(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)methanamine
CID 82291683
[2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine
CID 96668676
[2-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine
CID 82484595
[2-(2,4-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine
CID 82486972
2-naphthalen-1-yl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
CID 44976671
3-fluoro-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
CID 7530838
N'-(2-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide
CID 44826640
2-(4-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
CID 7530892
(2-benzyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine
CID 82478597
2-(2-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
CID 7530890
2-(4-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]ethenesulfonamide
CID 71960556

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine?
The IUPAC name of (2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine (CID 82476476) is (2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine.
What is the SMILES notation for (2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine?
The canonical SMILES for (2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine is NCc1csc2nc(-c3cccs3)nn12.
What is the InChIKey of (2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine?
The InChIKey is QKCRZLYEBCDFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4S2/c10-4-6-5-15-9-11-8(12-13(6)9)7-2-1-3-14-7/h1-3,5H,4,10H2.
What are the key properties of (2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine?
(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine has a molecular weight of 236.33 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine is sourced from PubChem (CID 82476476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).