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

C9H11N5O2S — CID 81173967

IUPAC5-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCc2ccon2)s1
InChIInChI=1S/C9H11N5O2S/c1-2-10-9-13-12-8(17-9)7(15)11-5-6-3-4-16-14-6/h3-4H,2,5H2,1H3,(H,10,13)(H,11,15)
InChIKeyUROTWRXQBCQJAV-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.89
Rot. Bonds5

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

5-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 81173967) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 5-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID81173967
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name5-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCc2ccon2)s1
InChIInChI=1S/C9H11N5O2S/c1-2-10-9-13-12-8(17-9)7(15)11-5-6-3-4-16-14-6/h3-4H,2,5H2,1H3,(H,10,13)(H,11,15)
InChIKeyUROTWRXQBCQJAV-UHFFFAOYSA-N
XLogP0.89
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide (CID 81173967) is 5-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NCc2ccon2)s1.
What is the InChIKey of 5-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is UROTWRXQBCQJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-2-10-9-13-12-8(17-9)7(15)11-5-6-3-4-16-14-6/h3-4H,2,5H2,1H3,(H,10,13)(H,11,15).
What are the key properties of 5-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 253.29 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 81173967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).