4-[[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one

C12H19N3OS2 — CID 114181657

IUPAC4-[[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCC1(CC)CN=C(NCc2csc(=O)[nH]2)SC1
InChIInChI=1S/C12H19N3OS2/c1-3-12(4-2)7-14-10(18-8-12)13-5-9-6-17-11(16)15-9/h6H,3-5,7-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyWTRWZYLYHVMCCM-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.44
Rot. Bonds4

About 4-[[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181657) has the molecular formula C12H19N3OS2 and a molecular weight of 285.44 g/mol. Its IUPAC name is 4-[[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID114181657
Molecular FormulaC12H19N3OS2
Molecular Weight285.44 g/mol
Exact Mass285.10
IUPAC Name4-[[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCC1(CC)CN=C(NCc2csc(=O)[nH]2)SC1
InChIInChI=1S/C12H19N3OS2/c1-3-12(4-2)7-14-10(18-8-12)13-5-9-6-17-11(16)15-9/h6H,3-5,7-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyWTRWZYLYHVMCCM-UHFFFAOYSA-N
XLogP2.44
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 114181657) is 4-[[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is CCC1(CC)CN=C(NCc2csc(=O)[nH]2)SC1.
What is the InChIKey of 4-[[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is WTRWZYLYHVMCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS2/c1-3-12(4-2)7-14-10(18-8-12)13-5-9-6-17-11(16)15-9/h6H,3-5,7-8H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 4-[[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 285.44 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).