N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine

C7H14N2OS — CID 43153356

IUPACN-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCCNC1=NCCS1
InChIInChI=1S/C7H14N2OS/c1-10-5-2-3-8-7-9-4-6-11-7/h2-6H2,1H3,(H,8,9)
InChIKeyRLMAHTURIIEPHS-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.72
Rot. Bonds4

About N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43153356) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43153356
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC NameN-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCCNC1=NCCS1
InChIInChI=1S/C7H14N2OS/c1-10-5-2-3-8-7-9-4-6-11-7/h2-6H2,1H3,(H,8,9)
InChIKeyRLMAHTURIIEPHS-UHFFFAOYSA-N
XLogP0.72
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.72
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
N'-(3-hydroxypropyl)-2-amino-2-thiazoline
CID 12064674
2-Ethylamino-5-hydroxymethyl-2-thiazoline
CID 129796243
N-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 14204746
5-methyl-N-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 17333831
N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068043
N-(3-ethoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068309
N-(1-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43148946
N-(3-ethoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43148984
N-(3-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43153352
N-(2-methoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439563
N-(3-ethoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440023

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 43153356) is N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine is COCCCNC1=NCCS1.
What is the InChIKey of N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RLMAHTURIIEPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-10-5-2-3-8-7-9-4-6-11-7/h2-6H2,1H3,(H,8,9).
What are the key properties of N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 174.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43153356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).