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

C15H20N4OS — CID 82526401

IUPAC1-cyclohexyl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
SMILESCCNc1nnc(-c2cccn(C3CCCCC3)c2=O)s1
InChIInChI=1S/C15H20N4OS/c1-2-16-15-18-17-13(21-15)12-9-6-10-19(14(12)20)11-7-4-3-5-8-11/h6,9-11H,2-5,7-8H2,1H3,(H,16,18)
InChIKeyHZSWHDSFMLIAHX-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.30
Rot. Bonds4

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

1-cyclohexyl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one (PubChem CID 82526401) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
PubChem CID82526401
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-cyclohexyl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
SMILESCCNc1nnc(-c2cccn(C3CCCCC3)c2=O)s1
InChIInChI=1S/C15H20N4OS/c1-2-16-15-18-17-13(21-15)12-9-6-10-19(14(12)20)11-7-4-3-5-8-11/h6,9-11H,2-5,7-8H2,1H3,(H,16,18)
InChIKeyHZSWHDSFMLIAHX-UHFFFAOYSA-N
XLogP3.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopentyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526566
1-butan-2-yl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526817
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
3-(butylaminomethyl)-1-cyclopentylpyridin-2-one
CID 82526600
1-(2-methoxyethyl)-3-[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526499
1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82526599
3-(chloromethyl)-1-cyclopentylpyridin-2-one
CID 82526593
3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-1-pentylpyridin-2-one
CID 82526681
(4-cyclopentylpiperazin-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80619747
3-(aminomethyl)-1-cyclopentylpyridin-2-one
CID 82186493

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one?
The IUPAC name of 1-cyclohexyl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one (CID 82526401) is 1-cyclohexyl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one.
What is the SMILES notation for 1-cyclohexyl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one?
The canonical SMILES for 1-cyclohexyl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one is CCNc1nnc(-c2cccn(C3CCCCC3)c2=O)s1.
What is the InChIKey of 1-cyclohexyl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one?
The InChIKey is HZSWHDSFMLIAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-2-16-15-18-17-13(21-15)12-9-6-10-19(14(12)20)11-7-4-3-5-8-11/h6,9-11H,2-5,7-8H2,1H3,(H,16,18).
What are the key properties of 1-cyclohexyl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one?
1-cyclohexyl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one has a molecular weight of 304.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one is sourced from PubChem (CID 82526401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).