N-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C8H16N2S — CID 3707289

IUPACN-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCCCNC1=NCCCS1
InChIInChI=1S/C8H16N2S/c1-2-3-5-9-8-10-6-4-7-11-8/h2-7H2,1H3,(H,9,10)
InChIKeyVJGAOKNEAWCDSK-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.87
Rot. Bonds3

About N-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 3707289) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is N-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID3707289
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC NameN-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCCCNC1=NCCCS1
InChIInChI=1S/C8H16N2S/c1-2-3-5-9-8-10-6-4-7-11-8/h2-7H2,1H3,(H,9,10)
InChIKeyVJGAOKNEAWCDSK-UHFFFAOYSA-N
XLogP1.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-4,5-dihydro-1,3-thiazol-2-amine
CID 4236807
N-Butyl-4,5-dihydro-1,3-thiazol-2-amine
CID 3847167
1,3-Diethyl-2-[2-(isopropylamino)ethyl]isothiourea
CID 469974
1,3-Diisopropyl-2-[2-(isopropylamino)ethyl]isothiourea
CID 469975
3-(1,4,5,6-Tetrahydro-pyrimidin-2-ylsulfanyl)-propylamine
CID 651302
3-(1,4,5,6-Tetrahydro-pyrimidin-2-ylsulfanyl)-propylamine hydrobromide
CID 6602989
N-(2-methylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 3865137
N-(butan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 383600
Diethyl({3-[(5-methyl-1,3-thiazolidin-2-ylidene)amino]propyl})amine
CID 3781074
S-[3-(N,N-dimethyl-amino)propyl]-N,N'-di-n-butylisothiourea
CID 20213266
N-Isobutyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 383601
Carbamimidothioic acid, N,N'-dibutyl-, butyl ester, hydrobromide (1:1)
CID 21118814

Frequently Asked Questions

What is the IUPAC name of N-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 3707289) is N-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CCCCNC1=NCCCS1.
What is the InChIKey of N-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is VJGAOKNEAWCDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-2-3-5-9-8-10-6-4-7-11-8/h2-7H2,1H3,(H,9,10).
What are the key properties of N-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 172.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 3707289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).