N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine

C6H6N4OS — CID 106419204

IUPACN-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESc1cc(CNc2nncs2)on1
InChIInChI=1S/C6H6N4OS/c1-2-9-11-5(1)3-7-6-10-8-4-12-6/h1-2,4H,3H2,(H,7,10)
InChIKeyHIQJHGISAJZGSP-UHFFFAOYSA-N
MW182.21 g/mol
LogP1.14
Rot. Bonds3

About N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine

N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 106419204) has the molecular formula C6H6N4OS and a molecular weight of 182.21 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID106419204
Molecular FormulaC6H6N4OS
Molecular Weight182.21 g/mol
Exact Mass182.03
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESc1cc(CNc2nncs2)on1
InChIInChI=1S/C6H6N4OS/c1-2-9-11-5(1)3-7-6-10-8-4-12-6/h1-2,4H,3H2,(H,7,10)
InChIKeyHIQJHGISAJZGSP-UHFFFAOYSA-N
XLogP1.14
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 106419204) is N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine is c1cc(CNc2nncs2)on1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is HIQJHGISAJZGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS/c1-2-9-11-5(1)3-7-6-10-8-4-12-6/h1-2,4H,3H2,(H,7,10).
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 182.21 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106419204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).