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

C7H13N3OS — CID 43553826

IUPAC3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide
SMILESNC(=O)CCNC1=NCCCS1
InChIInChI=1S/C7H13N3OS/c8-6(11)2-4-10-7-9-3-1-5-12-7/h1-5H2,(H2,8,11)(H,9,10)
InChIKeyDYRFPKGEYKGMRI-UHFFFAOYSA-N
MW187.27 g/mol
LogP-0.06
Rot. Bonds3

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

3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide (PubChem CID 43553826) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide.

Molecular Properties

Compound Name3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide
PubChem CID43553826
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide
SMILESNC(=O)CCNC1=NCCCS1
InChIInChI=1S/C7H13N3OS/c8-6(11)2-4-10-7-9-3-1-5-12-7/h1-5H2,(H2,8,11)(H,9,10)
InChIKeyDYRFPKGEYKGMRI-UHFFFAOYSA-N
XLogP-0.06
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide?
The IUPAC name of 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide (CID 43553826) is 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide.
What is the SMILES notation for 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide?
The canonical SMILES for 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide is NC(=O)CCNC1=NCCCS1.
What is the InChIKey of 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide?
The InChIKey is DYRFPKGEYKGMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c8-6(11)2-4-10-7-9-3-1-5-12-7/h1-5H2,(H2,8,11)(H,9,10).
What are the key properties of 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide?
3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide has a molecular weight of 187.27 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide is sourced from PubChem (CID 43553826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).