1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine

C10H17N3OS2 — CID 62751033

IUPAC1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(N2CCS(=O)CC2)sc1C(C)N
InChIInChI=1S/C10H17N3OS2/c1-7(11)9-8(2)12-10(15-9)13-3-5-16(14)6-4-13/h7H,3-6,11H2,1-2H3
InChIKeyZEUUPIXSIOMTAR-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.04
Rot. Bonds2

About 1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine

1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 62751033) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID62751033
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(N2CCS(=O)CC2)sc1C(C)N
InChIInChI=1S/C10H17N3OS2/c1-7(11)9-8(2)12-10(15-9)13-3-5-16(14)6-4-13/h7H,3-6,11H2,1-2H3
InChIKeyZEUUPIXSIOMTAR-UHFFFAOYSA-N
XLogP1.04
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine (CID 62751033) is 1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine is Cc1nc(N2CCS(=O)CC2)sc1C(C)N.
What is the InChIKey of 1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is ZEUUPIXSIOMTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-7(11)9-8(2)12-10(15-9)13-3-5-16(14)6-4-13/h7H,3-6,11H2,1-2H3.
What are the key properties of 1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine?
1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 259.40 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62751033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).