2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-propylpropanamide

C10H19N3OS — CID 61477993

IUPAC2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1=NCCCS1
InChIInChI=1S/C10H19N3OS/c1-3-5-11-9(14)8(2)13-10-12-6-4-7-15-10/h8H,3-7H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyDEUXBXZCGQFFMD-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.98
Rot. Bonds4

About 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-propylpropanamide

2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-propylpropanamide (PubChem CID 61477993) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-propylpropanamide
PubChem CID61477993
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1=NCCCS1
InChIInChI=1S/C10H19N3OS/c1-3-5-11-9(14)8(2)13-10-12-6-4-7-15-10/h8H,3-7H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyDEUXBXZCGQFFMD-UHFFFAOYSA-N
XLogP0.98
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-propylpropanamide?
The IUPAC name of 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-propylpropanamide (CID 61477993) is 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-propylpropanamide.
What is the SMILES notation for 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-propylpropanamide?
The canonical SMILES for 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-propylpropanamide is CCCNC(=O)C(C)NC1=NCCCS1.
What is the InChIKey of 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-propylpropanamide?
The InChIKey is DEUXBXZCGQFFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-3-5-11-9(14)8(2)13-10-12-6-4-7-15-10/h8H,3-7H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-propylpropanamide?
2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-propylpropanamide has a molecular weight of 229.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-propylpropanamide is sourced from PubChem (CID 61477993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).