2-[(E,3E)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-4,4-dimethyl-5H-1,3-oxazole

C13H20N2OS — CID 90346275

IUPAC2-[(E,3E)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCN1CCS/C1=C/C=C/C1=NC(C)(C)CO1
InChIInChI=1S/C13H20N2OS/c1-4-15-8-9-17-12(15)7-5-6-11-14-13(2,3)10-16-11/h5-7H,4,8-10H2,1-3H3/b6-5+,12-7+
InChIKeyHKCQBKQJLWDAIW-DVIJZSFDSA-N
MW252.38 g/mol
LogP2.66
Rot. Bonds3

About 2-[(E,3E)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-4,4-dimethyl-5H-1,3-oxazole

2-[(E,3E)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 90346275) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-[(E,3E)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[(E,3E)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID90346275
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-[(E,3E)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCN1CCS/C1=C/C=C/C1=NC(C)(C)CO1
InChIInChI=1S/C13H20N2OS/c1-4-15-8-9-17-12(15)7-5-6-11-14-13(2,3)10-16-11/h5-7H,4,8-10H2,1-3H3/b6-5+,12-7+
InChIKeyHKCQBKQJLWDAIW-DVIJZSFDSA-N
XLogP2.66
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E,3E)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[(E,3E)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-4,4-dimethyl-5H-1,3-oxazole (CID 90346275) is 2-[(E,3E)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[(E,3E)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[(E,3E)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-4,4-dimethyl-5H-1,3-oxazole is CCN1CCS/C1=C/C=C/C1=NC(C)(C)CO1.
What is the InChIKey of 2-[(E,3E)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is HKCQBKQJLWDAIW-DVIJZSFDSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-4-15-8-9-17-12(15)7-5-6-11-14-13(2,3)10-16-11/h5-7H,4,8-10H2,1-3H3/b6-5+,12-7+.
What are the key properties of 2-[(E,3E)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[(E,3E)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 252.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,3E)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 90346275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).