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

C8H11N3OS2 — CID 106382569

IUPAC4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2=NCCCS2)cs1
InChIInChI=1S/C8H11N3OS2/c12-8-11-6(5-14-8)4-10-7-9-2-1-3-13-7/h5H,1-4H2,(H,9,10)(H,11,12)
InChIKeyRNXFQXNGOXFGIB-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.02
Rot. Bonds2

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

4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106382569) has the molecular formula C8H11N3OS2 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106382569
Molecular FormulaC8H11N3OS2
Molecular Weight229.33 g/mol
Exact Mass229.03
IUPAC Name4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2=NCCCS2)cs1
InChIInChI=1S/C8H11N3OS2/c12-8-11-6(5-14-8)4-10-7-9-2-1-3-13-7/h5H,1-4H2,(H,9,10)(H,11,12)
InChIKeyRNXFQXNGOXFGIB-UHFFFAOYSA-N
XLogP1.02
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 106382569) is 4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2=NCCCS2)cs1.
What is the InChIKey of 4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is RNXFQXNGOXFGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS2/c12-8-11-6(5-14-8)4-10-7-9-2-1-3-13-7/h5H,1-4H2,(H,9,10)(H,11,12).
What are the key properties of 4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 229.33 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106382569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).