3-(propan-2-yloxymethyl)-1,2,4-thiadiazol-5-amine

C6H11N3OS — CID 83874182

IUPAC3-(propan-2-yloxymethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)OCc1nsc(N)n1
InChIInChI=1S/C6H11N3OS/c1-4(2)10-3-5-8-6(7)11-9-5/h4H,3H2,1-2H3,(H2,7,8,9)
InChIKeyBDBWNZURPSHGOZ-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.05
Rot. Bonds3

About 3-(propan-2-yloxymethyl)-1,2,4-thiadiazol-5-amine

3-(propan-2-yloxymethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 83874182) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-(propan-2-yloxymethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(propan-2-yloxymethyl)-1,2,4-thiadiazol-5-amine
PubChem CID83874182
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name3-(propan-2-yloxymethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)OCc1nsc(N)n1
InChIInChI=1S/C6H11N3OS/c1-4(2)10-3-5-8-6(7)11-9-5/h4H,3H2,1-2H3,(H2,7,8,9)
InChIKeyBDBWNZURPSHGOZ-UHFFFAOYSA-N
XLogP1.05
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
CID 80607952
3-(chloromethyl)-1,2,4-thiadiazol-5-amine
CID 14012604
2-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-amine
CID 104605296
3-butyl-1,2,4-thiadiazol-5-amine
CID 23331283
3-bromo-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole
CID 102943243
3-chloro-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole
CID 102943908
1-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 112605768
3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 66094246
[5,6-dimethyl-2-(propan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62246778
5-ethyl-4,6-dimethyl-2-(propan-2-yloxymethyl)thieno[2,3-b]pyridin-3-amine
CID 143185757
methanamine;1,2,4-thiadiazole-3,5-diamine
CID 174984852
3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 66064772

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-yloxymethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(propan-2-yloxymethyl)-1,2,4-thiadiazol-5-amine (CID 83874182) is 3-(propan-2-yloxymethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(propan-2-yloxymethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(propan-2-yloxymethyl)-1,2,4-thiadiazol-5-amine is CC(C)OCc1nsc(N)n1.
What is the InChIKey of 3-(propan-2-yloxymethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BDBWNZURPSHGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-4(2)10-3-5-8-6(7)11-9-5/h4H,3H2,1-2H3,(H2,7,8,9).
What are the key properties of 3-(propan-2-yloxymethyl)-1,2,4-thiadiazol-5-amine?
3-(propan-2-yloxymethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 173.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-yloxymethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 83874182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).