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

C10H16N4O2S — CID 80618770

IUPAC5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCC2CCCO2)s1
InChIInChI=1S/C10H16N4O2S/c1-2-11-10-14-13-9(17-10)8(15)12-6-7-4-3-5-16-7/h7H,2-6H2,1H3,(H,11,14)(H,12,15)
InChIKeyAEBGBYTUYOAZKY-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.88
Rot. Bonds5

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

5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618770) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618770
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCC2CCCO2)s1
InChIInChI=1S/C10H16N4O2S/c1-2-11-10-14-13-9(17-10)8(15)12-6-7-4-3-5-16-7/h7H,2-6H2,1H3,(H,11,14)(H,12,15)
InChIKeyAEBGBYTUYOAZKY-UHFFFAOYSA-N
XLogP0.88
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624606
N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615896
5-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615401
5-(ethylamino)-N-(thiolan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 107298229
N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616090
5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64915572
N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616887
N-(1,4-dioxan-2-ylmethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616205
N-methyl-N-(oxan-2-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615228
N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619130
4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62173174
N-(2-methylpropyl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51258901

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide (CID 80618770) is 5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NCC2CCCO2)s1.
What is the InChIKey of 5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is AEBGBYTUYOAZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-2-11-10-14-13-9(17-10)8(15)12-6-7-4-3-5-16-7/h7H,2-6H2,1H3,(H,11,14)(H,12,15).
What are the key properties of 5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).