N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)thiolan-3-amine

C10H16N2OS2 — CID 62543295

IUPACN-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)thiolan-3-amine
SMILESCOCCNC1(c2nccs2)CCSC1
InChIInChI=1S/C10H16N2OS2/c1-13-5-3-12-10(2-6-14-8-10)9-11-4-7-15-9/h4,7,12H,2-3,5-6,8H2,1H3
InChIKeyKEQMOVAQAWCMRG-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.71
Rot. Bonds5

About N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)thiolan-3-amine

N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)thiolan-3-amine (PubChem CID 62543295) has the molecular formula C10H16N2OS2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)thiolan-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)thiolan-3-amine
PubChem CID62543295
Molecular FormulaC10H16N2OS2
Molecular Weight244.38 g/mol
Exact Mass244.07
IUPAC NameN-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)thiolan-3-amine
SMILESCOCCNC1(c2nccs2)CCSC1
InChIInChI=1S/C10H16N2OS2/c1-13-5-3-12-10(2-6-14-8-10)9-11-4-7-15-9/h4,7,12H,2-3,5-6,8H2,1H3
InChIKeyKEQMOVAQAWCMRG-UHFFFAOYSA-N
XLogP1.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)thiolan-3-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)thiolan-3-amine (CID 62543295) is N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)thiolan-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)thiolan-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)thiolan-3-amine is COCCNC1(c2nccs2)CCSC1.
What is the InChIKey of N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)thiolan-3-amine?
The InChIKey is KEQMOVAQAWCMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS2/c1-13-5-3-12-10(2-6-14-8-10)9-11-4-7-15-9/h4,7,12H,2-3,5-6,8H2,1H3.
What are the key properties of N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)thiolan-3-amine?
N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)thiolan-3-amine has a molecular weight of 244.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)thiolan-3-amine is sourced from PubChem (CID 62543295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).