N-(3-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C8H16N2OS — CID 43153352

IUPACN-(3-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOCCCNC1=NCCCS1
InChIInChI=1S/C8H16N2OS/c1-11-6-2-4-9-8-10-5-3-7-12-8/h2-7H2,1H3,(H,9,10)
InChIKeyDTMSNRGNERSWCG-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.11
Rot. Bonds4

About N-(3-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(3-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 43153352) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID43153352
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameN-(3-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOCCCNC1=NCCCS1
InChIInChI=1S/C8H16N2OS/c1-11-6-2-4-9-8-10-5-3-7-12-8/h2-7H2,1H3,(H,9,10)
InChIKeyDTMSNRGNERSWCG-UHFFFAOYSA-N
XLogP1.11
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 135452621
2-hydroxyethyl N,N'-dibutylcarbamimidothioate
CID 54333847
2-Butan-2-ylsulfanyl-5-methoxy-1,4,5,6-tetrahydropyrimidine
CID 163765314
1-hydroxyethyl N,N'-dibutylcarbamimidothioate
CID 20426806
3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propan-1-ol
CID 21821350
N-(3-ethoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068309
N-(2-methoxyethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43148926
N-(1-methoxypropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43148945
N-(3-ethoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43148984
N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43153356
N-(3-ethoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440023
N-(3-methoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440109

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(3-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 43153352) is N-(3-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is COCCCNC1=NCCCS1.
What is the InChIKey of N-(3-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is DTMSNRGNERSWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-11-6-2-4-9-8-10-5-3-7-12-8/h2-7H2,1H3,(H,9,10).
What are the key properties of N-(3-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(3-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 188.30 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 43153352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).