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

C13H17N3OS — CID 63310569

IUPAC3-[[2-(ethylamino)-4-pyridinyl]methyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCCNc1cc(Cn2c(C)c(C)sc2=O)ccn1
InChIInChI=1S/C13H17N3OS/c1-4-14-12-7-11(5-6-15-12)8-16-9(2)10(3)18-13(16)17/h5-7H,4,8H2,1-3H3,(H,14,15)
InChIKeyYPTOAKVVVPINNY-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.40
Rot. Bonds4

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

3-[[2-(ethylamino)-4-pyridinyl]methyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 63310569) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-4-pyridinyl]methyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[[2-(ethylamino)-4-pyridinyl]methyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID63310569
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name3-[[2-(ethylamino)-4-pyridinyl]methyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCCNc1cc(Cn2c(C)c(C)sc2=O)ccn1
InChIInChI=1S/C13H17N3OS/c1-4-14-12-7-11(5-6-15-12)8-16-9(2)10(3)18-13(16)17/h5-7H,4,8H2,1-3H3,(H,14,15)
InChIKeyYPTOAKVVVPINNY-UHFFFAOYSA-N
XLogP2.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-4-pyridinyl]methyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[[2-(ethylamino)-4-pyridinyl]methyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 63310569) is 3-[[2-(ethylamino)-4-pyridinyl]methyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[[2-(ethylamino)-4-pyridinyl]methyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[[2-(ethylamino)-4-pyridinyl]methyl]-4,5-dimethyl-1,3-thiazol-2-one is CCNc1cc(Cn2c(C)c(C)sc2=O)ccn1.
What is the InChIKey of 3-[[2-(ethylamino)-4-pyridinyl]methyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is YPTOAKVVVPINNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-4-14-12-7-11(5-6-15-12)8-16-9(2)10(3)18-13(16)17/h5-7H,4,8H2,1-3H3,(H,14,15).
What are the key properties of 3-[[2-(ethylamino)-4-pyridinyl]methyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[[2-(ethylamino)-4-pyridinyl]methyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 263.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-4-pyridinyl]methyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 63310569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).