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

C12H23N3OS — CID 113407961

IUPACN-tert-butyl-2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide
SMILESCC1CN=C(NC(C)C(=O)NC(C)(C)C)SC1
InChIInChI=1S/C12H23N3OS/c1-8-6-13-11(17-7-8)14-9(2)10(16)15-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,14)(H,15,16)
InChIKeyMPUVMISZFRXXDM-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.62
Rot. Bonds2

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

N-tert-butyl-2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide (PubChem CID 113407961) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-tert-butyl-2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide
PubChem CID113407961
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-tert-butyl-2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide
SMILESCC1CN=C(NC(C)C(=O)NC(C)(C)C)SC1
InChIInChI=1S/C12H23N3OS/c1-8-6-13-11(17-7-8)14-9(2)10(16)15-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,14)(H,15,16)
InChIKeyMPUVMISZFRXXDM-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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Related Compounds

2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide
CID 113407964
N-tert-butyl-2-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide
CID 106352124
5-methyl-N-(1-pyridin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035697
5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035711
N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylamino)propanamide
CID 115601387
N-(2-methoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 102699426
N-tert-butyl-2-(2,2-dimethylhydrazinyl)propanamide
CID 83013632
N-tert-butyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide
CID 115682841
2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide
CID 112690234
5-methyl-N-(2-methylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035545
5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 79363102
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide (CID 113407961) is N-tert-butyl-2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide is CC1CN=C(NC(C)C(=O)NC(C)(C)C)SC1.
What is the InChIKey of N-tert-butyl-2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide?
The InChIKey is MPUVMISZFRXXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-8-6-13-11(17-7-8)14-9(2)10(16)15-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,14)(H,15,16).
What are the key properties of N-tert-butyl-2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide?
N-tert-butyl-2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide 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 N-tert-butyl-2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide is sourced from PubChem (CID 113407961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).