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

C8H16N2OS — CID 43440109

IUPACN-(3-methoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCCNC1=NCC(C)S1
InChIInChI=1S/C8H16N2OS/c1-7-6-10-8(12-7)9-4-3-5-11-2/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyAGOLDDAKQUZZMT-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.10
Rot. Bonds4

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

N-(3-methoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43440109) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43440109
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameN-(3-methoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCCNC1=NCC(C)S1
InChIInChI=1S/C8H16N2OS/c1-7-6-10-8(12-7)9-4-3-5-11-2/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyAGOLDDAKQUZZMT-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43440109) is N-(3-methoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is COCCCNC1=NCC(C)S1.
What is the InChIKey of N-(3-methoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is AGOLDDAKQUZZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-7-6-10-8(12-7)9-4-3-5-11-2/h7H,3-6H2,1-2H3,(H,9,10).
What are the key properties of N-(3-methoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-methoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 188.30 g/mol, XLogP of 1.10, 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-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43440109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).