3-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide

C15H29N3OS — CID 106251449

IUPAC3-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCCC1(CC)CN=C(NCCC(=O)NCC(C)C)SC1
InChIInChI=1S/C15H29N3OS/c1-5-15(6-2)10-18-14(20-11-15)16-8-7-13(19)17-9-12(3)4/h12H,5-11H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyKGCXLSLIDFJFQX-UHFFFAOYSA-N
MW299.48 g/mol
LogP2.65
Rot. Bonds7

About 3-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide

3-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 106251449) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is 3-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide
PubChem CID106251449
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC Name3-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCCC1(CC)CN=C(NCCC(=O)NCC(C)C)SC1
InChIInChI=1S/C15H29N3OS/c1-5-15(6-2)10-18-14(20-11-15)16-8-7-13(19)17-9-12(3)4/h12H,5-11H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyKGCXLSLIDFJFQX-UHFFFAOYSA-N
XLogP2.65
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide (CID 106251449) is 3-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide is CCC1(CC)CN=C(NCCC(=O)NCC(C)C)SC1.
What is the InChIKey of 3-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is KGCXLSLIDFJFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-5-15(6-2)10-18-14(20-11-15)16-8-7-13(19)17-9-12(3)4/h12H,5-11H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of 3-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide?
3-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 299.48 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 106251449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).