[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone

C12H20N4OS — CID 80623651

IUPAC[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCCNc1nnc(C(=O)N2CCCC2C(C)C)s1
InChIInChI=1S/C12H20N4OS/c1-4-13-12-15-14-10(18-12)11(17)16-7-5-6-9(16)8(2)3/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyNKHZDDUNWXKZDW-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.23
Rot. Bonds4

About [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone

[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone (PubChem CID 80623651) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
PubChem CID80623651
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCCNc1nnc(C(=O)N2CCCC2C(C)C)s1
InChIInChI=1S/C12H20N4OS/c1-4-13-12-15-14-10(18-12)11(17)16-7-5-6-9(16)8(2)3/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyNKHZDDUNWXKZDW-UHFFFAOYSA-N
XLogP2.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone (CID 80623651) is [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone is CCNc1nnc(C(=O)N2CCCC2C(C)C)s1.
What is the InChIKey of [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is NKHZDDUNWXKZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-4-13-12-15-14-10(18-12)11(17)16-7-5-6-9(16)8(2)3/h8-9H,4-7H2,1-3H3,(H,13,15).
What are the key properties of [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone?
[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 268.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 80623651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).