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

C7H13N3OS — CID 43545741

IUPAC2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide
SMILESCC(NC1=NCCCS1)C(N)=O
InChIInChI=1S/C7H13N3OS/c1-5(6(8)11)10-7-9-3-2-4-12-7/h5H,2-4H2,1H3,(H2,8,11)(H,9,10)
InChIKeyULIOHRAGARDLDM-UHFFFAOYSA-N
MW187.27 g/mol
LogP-0.06
Rot. Bonds2

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

2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide (PubChem CID 43545741) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide
PubChem CID43545741
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide
SMILESCC(NC1=NCCCS1)C(N)=O
InChIInChI=1S/C7H13N3OS/c1-5(6(8)11)10-7-9-3-2-4-12-7/h5H,2-4H2,1H3,(H2,8,11)(H,9,10)
InChIKeyULIOHRAGARDLDM-UHFFFAOYSA-N
XLogP-0.06
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 5-0.06
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)propanamide?
The IUPAC name of 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide (CID 43545741) is 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide.
What is the SMILES notation for 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide?
The canonical SMILES for 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide is CC(NC1=NCCCS1)C(N)=O.
What is the InChIKey of 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide?
The InChIKey is ULIOHRAGARDLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-5(6(8)11)10-7-9-3-2-4-12-7/h5H,2-4H2,1H3,(H2,8,11)(H,9,10).
What are the key properties of 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide?
2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide has a molecular weight of 187.27 g/mol, XLogP of -0.06, 2 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)propanamide is sourced from PubChem (CID 43545741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).