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

C8H12N4S — CID 82105459

IUPAC(5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanamine
SMILESCC(C)c1csc2nnc(CN)n12
InChIInChI=1S/C8H12N4S/c1-5(2)6-4-13-8-11-10-7(3-9)12(6)8/h4-5H,3,9H2,1-2H3
InChIKeyJHIOXVYRRSBEDC-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.37
Rot. Bonds2

About (5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanamine

(5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanamine (PubChem CID 82105459) has the molecular formula C8H12N4S and a molecular weight of 196.28 g/mol. Its IUPAC name is (5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanamine
PubChem CID82105459
Molecular FormulaC8H12N4S
Molecular Weight196.28 g/mol
Exact Mass196.08
IUPAC Name(5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanamine
SMILESCC(C)c1csc2nnc(CN)n12
InChIInChI=1S/C8H12N4S/c1-5(2)6-4-13-8-11-10-7(3-9)12(6)8/h4-5H,3,9H2,1-2H3
InChIKeyJHIOXVYRRSBEDC-UHFFFAOYSA-N
XLogP1.37
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid
CID 82166660
2-(6-methyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062556
5-(chloromethyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazole
CID 82062114
[5-(3-nitrophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methanamine
CID 82105489
2-(3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
CID 82062252
[3-(phenoxymethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methanamine
CID 82484602
3-propan-2-ylimidazo[5,1-b][1,3]thiazol-5-amine
CID 82468374
2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine
CID 82166795
2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 93210815
3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 86260022
2-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]acetic acid
CID 82166820
2-(5-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanamine
CID 82166922

Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanamine?
The IUPAC name of (5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanamine (CID 82105459) is (5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanamine.
What is the SMILES notation for (5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanamine?
The canonical SMILES for (5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanamine is CC(C)c1csc2nnc(CN)n12.
What is the InChIKey of (5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanamine?
The InChIKey is JHIOXVYRRSBEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4S/c1-5(2)6-4-13-8-11-10-7(3-9)12(6)8/h4-5H,3,9H2,1-2H3.
What are the key properties of (5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanamine?
(5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanamine has a molecular weight of 196.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanamine is sourced from PubChem (CID 82105459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).