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

C10H12N4OS — CID 80607991

IUPAC1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one
SMILESCCNc1nnc(Cn2ccccc2=O)s1
InChIInChI=1S/C10H12N4OS/c1-2-11-10-13-12-8(16-10)7-14-6-4-3-5-9(14)15/h3-6H,2,7H2,1H3,(H,11,13)
InChIKeyQDNPMZHKQWHHIO-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.18
Rot. Bonds4

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

1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one (PubChem CID 80607991) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one
PubChem CID80607991
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one
SMILESCCNc1nnc(Cn2ccccc2=O)s1
InChIInChI=1S/C10H12N4OS/c1-2-11-10-13-12-8(16-10)7-14-6-4-3-5-9(14)15/h3-6H,2,7H2,1H3,(H,11,13)
InChIKeyQDNPMZHKQWHHIO-UHFFFAOYSA-N
XLogP1.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one?
The IUPAC name of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one (CID 80607991) is 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one is CCNc1nnc(Cn2ccccc2=O)s1.
What is the InChIKey of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one?
The InChIKey is QDNPMZHKQWHHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-2-11-10-13-12-8(16-10)7-14-6-4-3-5-9(14)15/h3-6H,2,7H2,1H3,(H,11,13).
What are the key properties of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one?
1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one has a molecular weight of 236.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 80607991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).