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

C6H12N2OS — CID 29068043

IUPACN-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCNC1=NCCS1
InChIInChI=1S/C6H12N2OS/c1-9-4-2-7-6-8-3-5-10-6/h2-5H2,1H3,(H,7,8)
InChIKeyXATYRJFFHWIPBK-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.33
Rot. Bonds3

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

N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 29068043) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID29068043
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC NameN-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCNC1=NCCS1
InChIInChI=1S/C6H12N2OS/c1-9-4-2-7-6-8-3-5-10-6/h2-5H2,1H3,(H,7,8)
InChIKeyXATYRJFFHWIPBK-UHFFFAOYSA-N
XLogP0.33
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.33
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-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844860
N-(2,2-difluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 115407836
N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 29068124
methyl N-(4,5-dihydro-1,3-thiazol-2-yl)carbamate;hydrochloride
CID 131850093
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-ethoxypropyl)oxamide
CID 108505333
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 79237638
4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide
CID 54995967
N-[3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propyl]methanesulfonamide
CID 106339556
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 62117756
N-[[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 139763051
N-[(2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 82678591
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 112671215

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 29068043) is N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine is COCCNC1=NCCS1.
What is the InChIKey of N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XATYRJFFHWIPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-9-4-2-7-6-8-3-5-10-6/h2-5H2,1H3,(H,7,8).
What are the key properties of N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 160.24 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 29068043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).