2-(ethylamino)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanamide

C11H20N4OS2 — CID 64710518

IUPAC2-(ethylamino)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanamide
SMILESCCNC(C)(CC(C)Sc1nnc(C)s1)C(N)=O
InChIInChI=1S/C11H20N4OS2/c1-5-13-11(4,9(12)16)6-7(2)17-10-15-14-8(3)18-10/h7,13H,5-6H2,1-4H3,(H2,12,16)
InChIKeyZBRACCBRBRCIOY-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.57
Rot. Bonds7

About 2-(ethylamino)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanamide

2-(ethylamino)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanamide (PubChem CID 64710518) has the molecular formula C11H20N4OS2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanamide.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanamide
PubChem CID64710518
Molecular FormulaC11H20N4OS2
Molecular Weight288.44 g/mol
Exact Mass288.11
IUPAC Name2-(ethylamino)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanamide
SMILESCCNC(C)(CC(C)Sc1nnc(C)s1)C(N)=O
InChIInChI=1S/C11H20N4OS2/c1-5-13-11(4,9(12)16)6-7(2)17-10-15-14-8(3)18-10/h7,13H,5-6H2,1-4H3,(H2,12,16)
InChIKeyZBRACCBRBRCIOY-UHFFFAOYSA-N
XLogP1.57
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanamide?
The IUPAC name of 2-(ethylamino)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanamide (CID 64710518) is 2-(ethylamino)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanamide.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanamide?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanamide is CCNC(C)(CC(C)Sc1nnc(C)s1)C(N)=O.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanamide?
The InChIKey is ZBRACCBRBRCIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS2/c1-5-13-11(4,9(12)16)6-7(2)17-10-15-14-8(3)18-10/h7,13H,5-6H2,1-4H3,(H2,12,16).
What are the key properties of 2-(ethylamino)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanamide?
2-(ethylamino)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanamide has a molecular weight of 288.44 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanamide is sourced from PubChem (CID 64710518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).