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

C7H7N5O2S — CID 81173484

IUPAC5-amino-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESNc1nnc(C(=O)NCc2ccon2)s1
InChIInChI=1S/C7H7N5O2S/c8-7-11-10-6(15-7)5(13)9-3-4-1-2-14-12-4/h1-2H,3H2,(H2,8,11)(H,9,13)
InChIKeyAPCPRTWCUWVRPR-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.04
Rot. Bonds3

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

5-amino-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 81173484) has the molecular formula C7H7N5O2S and a molecular weight of 225.23 g/mol. Its IUPAC name is 5-amino-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID81173484
Molecular FormulaC7H7N5O2S
Molecular Weight225.23 g/mol
Exact Mass225.03
IUPAC Name5-amino-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESNc1nnc(C(=O)NCc2ccon2)s1
InChIInChI=1S/C7H7N5O2S/c8-7-11-10-6(15-7)5(13)9-3-4-1-2-14-12-4/h1-2H,3H2,(H2,8,11)(H,9,13)
InChIKeyAPCPRTWCUWVRPR-UHFFFAOYSA-N
XLogP0.04
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide (CID 81173484) is 5-amino-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide is Nc1nnc(C(=O)NCc2ccon2)s1.
What is the InChIKey of 5-amino-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is APCPRTWCUWVRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2S/c8-7-11-10-6(15-7)5(13)9-3-4-1-2-14-12-4/h1-2H,3H2,(H2,8,11)(H,9,13).
What are the key properties of 5-amino-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 225.23 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 81173484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).