N-[2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)ethyl]acetamide

C8H15N3OS — CID 43552951

IUPACN-[2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)ethyl]acetamide
SMILESCC(=O)NCCNC1=NCCCS1
InChIInChI=1S/C8H15N3OS/c1-7(12)9-4-5-11-8-10-3-2-6-13-8/h2-6H2,1H3,(H,9,12)(H,10,11)
InChIKeyBIHRISJHSTZGNU-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.20
Rot. Bonds3

About N-[2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)ethyl]acetamide

N-[2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)ethyl]acetamide (PubChem CID 43552951) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is N-[2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)ethyl]acetamide
PubChem CID43552951
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC NameN-[2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)ethyl]acetamide
SMILESCC(=O)NCCNC1=NCCCS1
InChIInChI=1S/C8H15N3OS/c1-7(12)9-4-5-11-8-10-3-2-6-13-8/h2-6H2,1H3,(H,9,12)(H,10,11)
InChIKeyBIHRISJHSTZGNU-UHFFFAOYSA-N
XLogP0.20
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)ethyl]acetamide?
The IUPAC name of N-[2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)ethyl]acetamide (CID 43552951) is N-[2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)ethyl]acetamide is CC(=O)NCCNC1=NCCCS1.
What is the InChIKey of N-[2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)ethyl]acetamide?
The InChIKey is BIHRISJHSTZGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-7(12)9-4-5-11-8-10-3-2-6-13-8/h2-6H2,1H3,(H,9,12)(H,10,11).
What are the key properties of N-[2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)ethyl]acetamide?
N-[2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)ethyl]acetamide has a molecular weight of 201.29 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 43552951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).