1-butan-2-yl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one

C13H18N4OS — CID 82526817

IUPAC1-butan-2-yl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
SMILESCCNc1nnc(-c2cccn(C(C)CC)c2=O)s1
InChIInChI=1S/C13H18N4OS/c1-4-9(3)17-8-6-7-10(12(17)18)11-15-16-13(19-11)14-5-2/h6-9H,4-5H2,1-3H3,(H,14,16)
InChIKeyADOIGGYHXQYVCE-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.77
Rot. Bonds5

About 1-butan-2-yl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one

1-butan-2-yl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one (PubChem CID 82526817) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-butan-2-yl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-butan-2-yl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
PubChem CID82526817
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name1-butan-2-yl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
SMILESCCNc1nnc(-c2cccn(C(C)CC)c2=O)s1
InChIInChI=1S/C13H18N4OS/c1-4-9(3)17-8-6-7-10(12(17)18)11-15-16-13(19-11)14-5-2/h6-9H,4-5H2,1-3H3,(H,14,16)
InChIKeyADOIGGYHXQYVCE-UHFFFAOYSA-N
XLogP2.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclohexyl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526401
N-ethyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 25220460
N-ethyl-5-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 61037549
1-(2-methoxyethyl)-3-[5-(propylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526502
4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one
CID 82442898
1-(2-methoxyethyl)-3-[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526499
1-butan-2-yl-3-(methylaminomethyl)pyridin-2-one
CID 82526863
3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-1-pentylpyridin-2-one
CID 82526681
1-cyclopentyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526566
6-tert-butyl-2-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridazin-3-one
CID 82443589
3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one
CID 82527106
1-butan-2-yl-3-[4-(2-methylpropyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]pyridin-2-one
CID 82526822

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one?
The IUPAC name of 1-butan-2-yl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one (CID 82526817) is 1-butan-2-yl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one.
What is the SMILES notation for 1-butan-2-yl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one?
The canonical SMILES for 1-butan-2-yl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one is CCNc1nnc(-c2cccn(C(C)CC)c2=O)s1.
What is the InChIKey of 1-butan-2-yl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one?
The InChIKey is ADOIGGYHXQYVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-4-9(3)17-8-6-7-10(12(17)18)11-15-16-13(19-11)14-5-2/h6-9H,4-5H2,1-3H3,(H,14,16).
What are the key properties of 1-butan-2-yl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one?
1-butan-2-yl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one has a molecular weight of 278.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one is sourced from PubChem (CID 82526817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).