3-[(4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-methylbutanamide

C11H21N3OS — CID 106097572

IUPAC3-[(4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-methylbutanamide
SMILESCCC1CCSC(NC(C)(C)CC(N)=O)=N1
InChIInChI=1S/C11H21N3OS/c1-4-8-5-6-16-10(13-8)14-11(2,3)7-9(12)15/h8H,4-7H2,1-3H3,(H2,12,15)(H,13,14)
InChIKeyPOCGXIJHLZUYCU-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.50
Rot. Bonds4

About 3-[(4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-methylbutanamide

3-[(4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-methylbutanamide (PubChem CID 106097572) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 3-[(4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-methylbutanamide
PubChem CID106097572
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name3-[(4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-methylbutanamide
SMILESCCC1CCSC(NC(C)(C)CC(N)=O)=N1
InChIInChI=1S/C11H21N3OS/c1-4-8-5-6-16-10(13-8)14-11(2,3)7-9(12)15/h8H,4-7H2,1-3H3,(H2,12,15)(H,13,14)
InChIKeyPOCGXIJHLZUYCU-UHFFFAOYSA-N
XLogP1.50
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-methylbutanamide (CID 106097572) is 3-[(4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-methylbutanamide is CCC1CCSC(NC(C)(C)CC(N)=O)=N1.
What is the InChIKey of 3-[(4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-methylbutanamide?
The InChIKey is POCGXIJHLZUYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-4-8-5-6-16-10(13-8)14-11(2,3)7-9(12)15/h8H,4-7H2,1-3H3,(H2,12,15)(H,13,14).
What are the key properties of 3-[(4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-methylbutanamide?
3-[(4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-methylbutanamide has a molecular weight of 243.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106097572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).