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

C10H17N3OS2 — CID 62753754

IUPACN-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(N2CCS(=O)CC2)s1
InChIInChI=1S/C10H17N3OS2/c1-8(11-2)9-7-12-10(15-9)13-3-5-16(14)6-4-13/h7-8,11H,3-6H2,1-2H3
InChIKeyKLSIOCOGYPAHLQ-UHFFFAOYSA-N
MW259.40 g/mol
LogP0.99
Rot. Bonds3

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

N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 62753754) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID62753754
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC NameN-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(N2CCS(=O)CC2)s1
InChIInChI=1S/C10H17N3OS2/c1-8(11-2)9-7-12-10(15-9)13-3-5-16(14)6-4-13/h7-8,11H,3-6H2,1-2H3
InChIKeyKLSIOCOGYPAHLQ-UHFFFAOYSA-N
XLogP0.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanamine
CID 62752084
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62751813
N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 62754570
N-methyl-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 62749888
N-methyl-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanamine
CID 62967417
[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine
CID 62751202
[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanol
CID 62754366
1-[2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 63161333
N-[1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62776879
N-[1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62753967
N-methyl-1-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 62751448
N-[1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 79164736

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine (CID 62753754) is N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine is CNC(C)c1cnc(N2CCS(=O)CC2)s1.
What is the InChIKey of N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is KLSIOCOGYPAHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-8(11-2)9-7-12-10(15-9)13-3-5-16(14)6-4-13/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-1-[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 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62753754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).