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

C9H13N3OS2 — CID 106382570

IUPAC4-[[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1CN=C(NCc2csc(=O)[nH]2)SC1
InChIInChI=1S/C9H13N3OS2/c1-6-2-10-8(14-4-6)11-3-7-5-15-9(13)12-7/h5-6H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyIJGDHUQLCRYQDW-UHFFFAOYSA-N
MW243.36 g/mol
LogP1.26
Rot. Bonds2

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

4-[[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106382570) has the molecular formula C9H13N3OS2 and a molecular weight of 243.36 g/mol. Its IUPAC name is 4-[[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106382570
Molecular FormulaC9H13N3OS2
Molecular Weight243.36 g/mol
Exact Mass243.05
IUPAC Name4-[[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1CN=C(NCc2csc(=O)[nH]2)SC1
InChIInChI=1S/C9H13N3OS2/c1-6-2-10-8(14-4-6)11-3-7-5-15-9(13)12-7/h5-6H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyIJGDHUQLCRYQDW-UHFFFAOYSA-N
XLogP1.26
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106382570) is 4-[[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is CC1CN=C(NCc2csc(=O)[nH]2)SC1.
What is the InChIKey of 4-[[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is IJGDHUQLCRYQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS2/c1-6-2-10-8(14-4-6)11-3-7-5-15-9(13)12-7/h5-6H,2-4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 4-[[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 243.36 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106382570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).