5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine

C13H23N3OS2 — CID 62766929

IUPAC5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(C)C2CCSC2)nc1C
InChIInChI=1S/C13H23N3OS2/c1-10-12(8-14-5-6-17-3)19-13(15-10)16(2)11-4-7-18-9-11/h11,14H,4-9H2,1-3H3
InChIKeyHHNXAASEFSUVSF-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.13
Rot. Bonds7

About 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine

5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 62766929) has the molecular formula C13H23N3OS2 and a molecular weight of 301.48 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
PubChem CID62766929
Molecular FormulaC13H23N3OS2
Molecular Weight301.48 g/mol
Exact Mass301.13
IUPAC Name5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(C)C2CCSC2)nc1C
InChIInChI=1S/C13H23N3OS2/c1-10-12(8-14-5-6-17-3)19-13(15-10)16(2)11-4-7-18-9-11/h11,14H,4-9H2,1-3H3
InChIKeyHHNXAASEFSUVSF-UHFFFAOYSA-N
XLogP2.13
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine (CID 62766929) is 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine is COCCNCc1sc(N(C)C2CCSC2)nc1C.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is HHNXAASEFSUVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS2/c1-10-12(8-14-5-6-17-3)19-13(15-10)16(2)11-4-7-18-9-11/h11,14H,4-9H2,1-3H3.
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 301.48 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62766929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).