4-[[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one

C14H19N3OS — CID 106380495

IUPAC4-[[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCc1cc(C)c(C(C)NCc2csc(=O)[nH]2)c(C)n1
InChIInChI=1S/C14H19N3OS/c1-8-5-9(2)16-11(4)13(8)10(3)15-6-12-7-19-14(18)17-12/h5,7,10,15H,6H2,1-4H3,(H,17,18)
InChIKeyNFZIGMGZUFSPIV-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.61
Rot. Bonds4

About 4-[[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one

4-[[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380495) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380495
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-[[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCc1cc(C)c(C(C)NCc2csc(=O)[nH]2)c(C)n1
InChIInChI=1S/C14H19N3OS/c1-8-5-9(2)16-11(4)13(8)10(3)15-6-12-7-19-14(18)17-12/h5,7,10,15H,6H2,1-4H3,(H,17,18)
InChIKeyNFZIGMGZUFSPIV-UHFFFAOYSA-N
XLogP2.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

N~3~-[(4,6-dimethylpyridin-2-yl)methyl]-N~1~-isopropyl-N~3~-methyl-beta-alaninamide
CID 91834164
N-[(2S)-2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]propyl]ethanesulfonamide
CID 129612665
2-[4,6-Bis(trifluoromethyl)pyridin-2-yl]-1,3-thiazolidin-4-one
CID 158341611
2-(Tert-butylamino)-1-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]ethanethiol
CID 170645084
N-[(1S)-1-(4,5,6-trimethyl-2-pyridinyl)ethyl]acetamide
CID 146162150
2,2,2-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43755101
3,3,3-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 55174361
4,4,4-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]butan-2-amine
CID 105932500
N-[2-(trifluoromethylsulfanyl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 106427271
4-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181244
2,2-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 115405638
4,4,4-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]butan-1-amine
CID 115516070

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one (CID 106380495) is 4-[[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one is Cc1cc(C)c(C(C)NCc2csc(=O)[nH]2)c(C)n1.
What is the InChIKey of 4-[[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is NFZIGMGZUFSPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-8-5-9(2)16-11(4)13(8)10(3)15-6-12-7-19-14(18)17-12/h5,7,10,15H,6H2,1-4H3,(H,17,18).
What are the key properties of 4-[[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 277.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).