2-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-methylpropanamide

C12H23N3OS — CID 114177179

IUPAC2-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC1=NC(C(C)(C)C)CCS1
InChIInChI=1S/C12H23N3OS/c1-8(10(16)13-5)14-11-15-9(6-7-17-11)12(2,3)4/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyGKYOHUJYMVRBGH-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.62
Rot. Bonds2

About 2-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-methylpropanamide

2-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-methylpropanamide (PubChem CID 114177179) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-methylpropanamide
PubChem CID114177179
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name2-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC1=NC(C(C)(C)C)CCS1
InChIInChI=1S/C12H23N3OS/c1-8(10(16)13-5)14-11-15-9(6-7-17-11)12(2,3)4/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyGKYOHUJYMVRBGH-UHFFFAOYSA-N
XLogP1.62
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-methylpropanamide (CID 114177179) is 2-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-methylpropanamide is CNC(=O)C(C)NC1=NC(C(C)(C)C)CCS1.
What is the InChIKey of 2-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-methylpropanamide?
The InChIKey is GKYOHUJYMVRBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-8(10(16)13-5)14-11-15-9(6-7-17-11)12(2,3)4/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-methylpropanamide?
2-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-methylpropanamide has a molecular weight of 257.40 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 114177179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).