5-(methylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide

C8H9N5O2S — CID 81174053

IUPAC5-(methylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCc2ccon2)s1
InChIInChI=1S/C8H9N5O2S/c1-9-8-12-11-7(16-8)6(14)10-4-5-2-3-15-13-5/h2-3H,4H2,1H3,(H,9,12)(H,10,14)
InChIKeyLBUOEZGBSGGVFC-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.50
Rot. Bonds4

About 5-(methylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide

5-(methylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 81174053) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is 5-(methylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID81174053
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Name5-(methylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCc2ccon2)s1
InChIInChI=1S/C8H9N5O2S/c1-9-8-12-11-7(16-8)6(14)10-4-5-2-3-15-13-5/h2-3H,4H2,1H3,(H,9,12)(H,10,14)
InChIKeyLBUOEZGBSGGVFC-UHFFFAOYSA-N
XLogP0.50
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide (CID 81174053) is 5-(methylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NCc2ccon2)s1.
What is the InChIKey of 5-(methylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is LBUOEZGBSGGVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-9-8-12-11-7(16-8)6(14)10-4-5-2-3-15-13-5/h2-3H,4H2,1H3,(H,9,12)(H,10,14).
What are the key properties of 5-(methylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
5-(methylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 239.26 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 81174053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).