5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine

C8H7N7S2 — CID 94673326

IUPAC5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(Sc2nnc(N)s2)n2ncnc2n1
InChIInChI=1S/C8H7N7S2/c1-4-2-5(15-7(12-4)10-3-11-15)16-8-14-13-6(9)17-8/h2-3H,1H3,(H2,9,13)
InChIKeyOBPIRLNYQXTABS-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.02
Rot. Bonds2

About 5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine

5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 94673326) has the molecular formula C8H7N7S2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID94673326
Molecular FormulaC8H7N7S2
Molecular Weight265.33 g/mol
Exact Mass265.02
IUPAC Name5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(Sc2nnc(N)s2)n2ncnc2n1
InChIInChI=1S/C8H7N7S2/c1-4-2-5(15-7(12-4)10-3-11-15)16-8-14-13-6(9)17-8/h2-3H,1H3,(H2,9,13)
InChIKeyOBPIRLNYQXTABS-UHFFFAOYSA-N
XLogP1.02
TPSA94.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-tert-butyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 18142369
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3-benzothiazol-6-amine
CID 61370417
N-(2-methoxyethyl)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 18142185
7-(2,4-dimethylphenyl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 18191294
7-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 9461574
N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]acetamide
CID 18191303
7-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133464815
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]propanoic acid
CID 43395323
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,2,4-triazole-3,5-diamine
CID 1316345
(3S)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]oxolan-2-one
CID 51601886
ethyl 4-[[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]carbamoylamino]benzoate
CID 46380063
4-methyl-N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide
CID 46320785

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (CID 94673326) is 5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine is Cc1cc(Sc2nnc(N)s2)n2ncnc2n1.
What is the InChIKey of 5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is OBPIRLNYQXTABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N7S2/c1-4-2-5(15-7(12-4)10-3-11-15)16-8-14-13-6(9)17-8/h2-3H,1H3,(H2,9,13).
What are the key properties of 5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 265.33 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 94673326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).