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

C9H18N2OS — CID 43440023

IUPACN-(3-ethoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCOCCCNC1=NCC(C)S1
InChIInChI=1S/C9H18N2OS/c1-3-12-6-4-5-10-9-11-7-8(2)13-9/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyOSCTZSJMYRVZDE-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.49
Rot. Bonds5

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

N-(3-ethoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43440023) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43440023
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-(3-ethoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCOCCCNC1=NCC(C)S1
InChIInChI=1S/C9H18N2OS/c1-3-12-6-4-5-10-9-11-7-8(2)13-9/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyOSCTZSJMYRVZDE-UHFFFAOYSA-N
XLogP1.49
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.49
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
1-hydroxyethyl N,N'-dibutylcarbamimidothioate
CID 20426806
N-(3-ethoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068309
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-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43153356
N-(1-methoxypropan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439705
N-(3-methoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440109
N-(2-ethoxyethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43591357
N-(2-ethoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43591371
4-ethyl-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43610489

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43440023) is N-(3-ethoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CCOCCCNC1=NCC(C)S1.
What is the InChIKey of N-(3-ethoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is OSCTZSJMYRVZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-3-12-6-4-5-10-9-11-7-8(2)13-9/h8H,3-7H2,1-2H3,(H,10,11).
What are the key properties of N-(3-ethoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-ethoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 202.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43440023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).