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

C14H27N3OS — CID 106352124

IUPACN-tert-butyl-2-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide
SMILESCC(NC1=NC(C(C)C)CCS1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H27N3OS/c1-9(2)11-7-8-19-13(16-11)15-10(3)12(18)17-14(4,5)6/h9-11H,7-8H2,1-6H3,(H,15,16)(H,17,18)
InChIKeySOABUICLTJHNHM-UHFFFAOYSA-N
MW285.46 g/mol
LogP2.40
Rot. Bonds3

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

N-tert-butyl-2-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide (PubChem CID 106352124) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide
PubChem CID106352124
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC NameN-tert-butyl-2-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide
SMILESCC(NC1=NC(C(C)C)CCS1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H27N3OS/c1-9(2)11-7-8-19-13(16-11)15-10(3)12(18)17-14(4,5)6/h9-11H,7-8H2,1-6H3,(H,15,16)(H,17,18)
InChIKeySOABUICLTJHNHM-UHFFFAOYSA-N
XLogP2.40
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide (CID 106352124) is N-tert-butyl-2-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide is CC(NC1=NC(C(C)C)CCS1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide?
The InChIKey is SOABUICLTJHNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-9(2)11-7-8-19-13(16-11)15-10(3)12(18)17-14(4,5)6/h9-11H,7-8H2,1-6H3,(H,15,16)(H,17,18).
What are the key properties of N-tert-butyl-2-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide?
N-tert-butyl-2-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide has a molecular weight of 285.46 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide is sourced from PubChem (CID 106352124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).