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

C9H15N3OS2 — CID 62431138

IUPAC[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(CN2CCS(=O)CC2)cs1
InChIInChI=1S/C9H15N3OS2/c10-5-9-11-8(7-14-9)6-12-1-3-15(13)4-2-12/h7H,1-6,10H2
InChIKeyBNHJPSYVBBKMIX-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.17
Rot. Bonds3

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

[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 62431138) has the molecular formula C9H15N3OS2 and a molecular weight of 245.37 g/mol. Its IUPAC name is [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine
PubChem CID62431138
Molecular FormulaC9H15N3OS2
Molecular Weight245.37 g/mol
Exact Mass245.07
IUPAC Name[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(CN2CCS(=O)CC2)cs1
InChIInChI=1S/C9H15N3OS2/c10-5-9-11-8(7-14-9)6-12-1-3-15(13)4-2-12/h7H,1-6,10H2
InChIKeyBNHJPSYVBBKMIX-UHFFFAOYSA-N
XLogP0.17
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine (CID 62431138) is [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine is NCc1nc(CN2CCS(=O)CC2)cs1.
What is the InChIKey of [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is BNHJPSYVBBKMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS2/c10-5-9-11-8(7-14-9)6-12-1-3-15(13)4-2-12/h7H,1-6,10H2.
What are the key properties of [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine?
[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 245.37 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 62431138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).