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

C10H14N4OS2 — CID 55205800

IUPAC3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCCNc1snnc1Cn1c(C)c(C)sc1=O
InChIInChI=1S/C10H14N4OS2/c1-4-11-9-8(12-13-17-9)5-14-6(2)7(3)16-10(14)15/h11H,4-5H2,1-3H3
InChIKeyKDTXQERKMGOKNU-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.86
Rot. Bonds4

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

3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 55205800) has the molecular formula C10H14N4OS2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID55205800
Molecular FormulaC10H14N4OS2
Molecular Weight270.38 g/mol
Exact Mass270.06
IUPAC Name3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCCNc1snnc1Cn1c(C)c(C)sc1=O
InChIInChI=1S/C10H14N4OS2/c1-4-11-9-8(12-13-17-9)5-14-6(2)7(3)16-10(14)15/h11H,4-5H2,1-3H3
InChIKeyKDTXQERKMGOKNU-UHFFFAOYSA-N
XLogP1.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 55205800) is 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-one is CCNc1snnc1Cn1c(C)c(C)sc1=O.
What is the InChIKey of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is KDTXQERKMGOKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS2/c1-4-11-9-8(12-13-17-9)5-14-6(2)7(3)16-10(14)15/h11H,4-5H2,1-3H3.
What are the key properties of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 270.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 55205800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).