1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile

C12H16N2O2S — CID 166314569

IUPAC1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile
SMILESCOCCOCCc1nc(C2(C#N)CC2)cs1
InChIInChI=1S/C12H16N2O2S/c1-15-6-7-16-5-2-11-14-10(8-17-11)12(9-13)3-4-12/h8H,2-7H2,1H3
InChIKeyBMOVRMLSRORETQ-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.90
Rot. Bonds7

About 1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile

1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile (PubChem CID 166314569) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile
PubChem CID166314569
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile
SMILESCOCCOCCc1nc(C2(C#N)CC2)cs1
InChIInChI=1S/C12H16N2O2S/c1-15-6-7-16-5-2-11-14-10(8-17-11)12(9-13)3-4-12/h8H,2-7H2,1H3
InChIKeyBMOVRMLSRORETQ-UHFFFAOYSA-N
XLogP1.90
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.90
H-Bond Donors ≤ 50
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 1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile (CID 166314569) is 1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile is COCCOCCc1nc(C2(C#N)CC2)cs1.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile?
The InChIKey is BMOVRMLSRORETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-15-6-7-16-5-2-11-14-10(8-17-11)12(9-13)3-4-12/h8H,2-7H2,1H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile?
1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile has a molecular weight of 252.34 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 166314569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).