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

C9H17N3OS — CID 61467792

IUPAC2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N,N-dimethylpropanamide
SMILESCC(NC1=NCCCS1)C(=O)N(C)C
InChIInChI=1S/C9H17N3OS/c1-7(8(13)12(2)3)11-9-10-5-4-6-14-9/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyZOUUJFITZFTRDX-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.55
Rot. Bonds2

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

2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N,N-dimethylpropanamide (PubChem CID 61467792) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N,N-dimethylpropanamide
PubChem CID61467792
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N,N-dimethylpropanamide
SMILESCC(NC1=NCCCS1)C(=O)N(C)C
InChIInChI=1S/C9H17N3OS/c1-7(8(13)12(2)3)11-9-10-5-4-6-14-9/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyZOUUJFITZFTRDX-UHFFFAOYSA-N
XLogP0.55
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
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,N-dimethylpropanamide?
The IUPAC name of 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N,N-dimethylpropanamide (CID 61467792) is 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N,N-dimethylpropanamide is CC(NC1=NCCCS1)C(=O)N(C)C.
What is the InChIKey of 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N,N-dimethylpropanamide?
The InChIKey is ZOUUJFITZFTRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-7(8(13)12(2)3)11-9-10-5-4-6-14-9/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N,N-dimethylpropanamide?
2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N,N-dimethylpropanamide has a molecular weight of 215.32 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 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,N-dimethylpropanamide is sourced from PubChem (CID 61467792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).