4-(2-aminoethyl)-1,4-thiazin-3-one

C6H10N2OS — CID 82502740

IUPAC4-(2-aminoethyl)-1,4-thiazin-3-one
SMILESNCCN1C=CSCC1=O
InChIInChI=1S/C6H10N2OS/c7-1-2-8-3-4-10-5-6(8)9/h3-4H,1-2,5,7H2
InChIKeyPNUZHRBGAIIAML-UHFFFAOYSA-N
MW158.23 g/mol
LogP-0.01
Rot. Bonds2

About 4-(2-aminoethyl)-1,4-thiazin-3-one

4-(2-aminoethyl)-1,4-thiazin-3-one (PubChem CID 82502740) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1,4-thiazin-3-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-1,4-thiazin-3-one
PubChem CID82502740
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name4-(2-aminoethyl)-1,4-thiazin-3-one
SMILESNCCN1C=CSCC1=O
InChIInChI=1S/C6H10N2OS/c7-1-2-8-3-4-10-5-6(8)9/h3-4H,1-2,5,7H2
InChIKeyPNUZHRBGAIIAML-UHFFFAOYSA-N
XLogP-0.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1,4-thiazin-3-one?
The IUPAC name of 4-(2-aminoethyl)-1,4-thiazin-3-one (CID 82502740) is 4-(2-aminoethyl)-1,4-thiazin-3-one.
What is the SMILES notation for 4-(2-aminoethyl)-1,4-thiazin-3-one?
The canonical SMILES for 4-(2-aminoethyl)-1,4-thiazin-3-one is NCCN1C=CSCC1=O.
What is the InChIKey of 4-(2-aminoethyl)-1,4-thiazin-3-one?
The InChIKey is PNUZHRBGAIIAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c7-1-2-8-3-4-10-5-6(8)9/h3-4H,1-2,5,7H2.
What are the key properties of 4-(2-aminoethyl)-1,4-thiazin-3-one?
4-(2-aminoethyl)-1,4-thiazin-3-one has a molecular weight of 158.23 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1,4-thiazin-3-one is sourced from PubChem (CID 82502740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).