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

C8H13N3OS2 — CID 62751202

IUPAC[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(N2CCS(=O)CC2)s1
InChIInChI=1S/C8H13N3OS2/c9-5-7-6-10-8(13-7)11-1-3-14(12)4-2-11/h6H,1-5,9H2
InChIKeyFNMCFTAVUZRUHF-UHFFFAOYSA-N
MW231.35 g/mol
LogP0.17
Rot. Bonds2

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

[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 62751202) has the molecular formula C8H13N3OS2 and a molecular weight of 231.35 g/mol. Its IUPAC name is [2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID62751202
Molecular FormulaC8H13N3OS2
Molecular Weight231.35 g/mol
Exact Mass231.05
IUPAC Name[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(N2CCS(=O)CC2)s1
InChIInChI=1S/C8H13N3OS2/c9-5-7-6-10-8(13-7)11-1-3-14(12)4-2-11/h6H,1-5,9H2
InChIKeyFNMCFTAVUZRUHF-UHFFFAOYSA-N
XLogP0.17
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine (CID 62751202) is [2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine is NCc1cnc(N2CCS(=O)CC2)s1.
What is the InChIKey of [2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is FNMCFTAVUZRUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS2/c9-5-7-6-10-8(13-7)11-1-3-14(12)4-2-11/h6H,1-5,9H2.
What are the key properties of [2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine?
[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 231.35 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 62751202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).