1-[2-[2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]ethoxy]ethoxy]propan-2-one

C13H22N2O3S — CID 171408281

IUPAC1-[2-[2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]ethoxy]ethoxy]propan-2-one
SMILESCC(=O)COCCOCCc1nc(CN(C)C)cs1
InChIInChI=1S/C13H22N2O3S/c1-11(16)9-18-7-6-17-5-4-13-14-12(10-19-13)8-15(2)3/h10H,4-9H2,1-3H3
InChIKeyRKJCPWBCTCQPTN-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.37
Rot. Bonds10

About 1-[2-[2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]ethoxy]ethoxy]propan-2-one

1-[2-[2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]ethoxy]ethoxy]propan-2-one (PubChem CID 171408281) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[2-[2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]ethoxy]ethoxy]propan-2-one.

Molecular Properties

Compound Name1-[2-[2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]ethoxy]ethoxy]propan-2-one
PubChem CID171408281
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name1-[2-[2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]ethoxy]ethoxy]propan-2-one
SMILESCC(=O)COCCOCCc1nc(CN(C)C)cs1
InChIInChI=1S/C13H22N2O3S/c1-11(16)9-18-7-6-17-5-4-13-14-12(10-19-13)8-15(2)3/h10H,4-9H2,1-3H3
InChIKeyRKJCPWBCTCQPTN-UHFFFAOYSA-N
XLogP1.37
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.37
H-Bond Donors ≤ 50
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 1-[2-[2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]ethoxy]ethoxy]propan-2-one?
The IUPAC name of 1-[2-[2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]ethoxy]ethoxy]propan-2-one (CID 171408281) is 1-[2-[2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]ethoxy]ethoxy]propan-2-one.
What is the SMILES notation for 1-[2-[2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]ethoxy]ethoxy]propan-2-one?
The canonical SMILES for 1-[2-[2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]ethoxy]ethoxy]propan-2-one is CC(=O)COCCOCCc1nc(CN(C)C)cs1.
What is the InChIKey of 1-[2-[2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]ethoxy]ethoxy]propan-2-one?
The InChIKey is RKJCPWBCTCQPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-11(16)9-18-7-6-17-5-4-13-14-12(10-19-13)8-15(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 1-[2-[2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]ethoxy]ethoxy]propan-2-one?
1-[2-[2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]ethoxy]ethoxy]propan-2-one has a molecular weight of 286.40 g/mol, XLogP of 1.37, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]ethoxy]ethoxy]propan-2-one is sourced from PubChem (CID 171408281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).