2-[(E,3E)-3-(3-methyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]benzo[e][1,3]benzoxazole

C18H16N2OS — CID 135469617

IUPAC2-[(E,3E)-3-(3-methyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]benzo[e][1,3]benzoxazole
SMILESCN1CCS/C1=C/C=C/c1nc2c(ccc3ccccc32)o1
InChIInChI=1S/C18H16N2OS/c1-20-11-12-22-17(20)8-4-7-16-19-18-14-6-3-2-5-13(14)9-10-15(18)21-16/h2-10H,11-12H2,1H3/b7-4+,17-8+
InChIKeySQIIVPGPILINBP-AQHRCUNFSA-N
MW308.41 g/mol
LogP4.51
Rot. Bonds2

About 2-[(E,3E)-3-(3-methyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]benzo[e][1,3]benzoxazole

2-[(E,3E)-3-(3-methyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]benzo[e][1,3]benzoxazole (PubChem CID 135469617) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-[(E,3E)-3-(3-methyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]benzo[e][1,3]benzoxazole.

Molecular Properties

Compound Name2-[(E,3E)-3-(3-methyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]benzo[e][1,3]benzoxazole
PubChem CID135469617
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name2-[(E,3E)-3-(3-methyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]benzo[e][1,3]benzoxazole
SMILESCN1CCS/C1=C/C=C/c1nc2c(ccc3ccccc32)o1
InChIInChI=1S/C18H16N2OS/c1-20-11-12-22-17(20)8-4-7-16-19-18-14-6-3-2-5-13(14)9-10-15(18)21-16/h2-10H,11-12H2,1H3/b7-4+,17-8+
InChIKeySQIIVPGPILINBP-AQHRCUNFSA-N
XLogP4.51
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylbenzenesulfonate;2-[(E,3Z)-3-(3-methyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium
CID 135504643
2-(2-phenylethenyl)benzo[e][1,3]benzoxazole;thiophene
CID 175372114
N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline
CID 127259737
3-[2-[(E,3E)-3-(3-methyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonic acid
CID 135453466
2-[3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]benzo[e][1,3]benzothiazole
CID 89153235
2-(4-tert-butylphenyl)-5-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[(Z)-2-phenylethenyl]benzo[e][1,3]benzoxazole
CID 157060082
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)benzo[e][1,3]benzoxazole
CID 22495793
bis(2-benzo[e][1,3]benzoxazol-2-ylphenol);palladium
CID 139246627
3-oxobenzo[f][1,4]benzoxazine-2-carbonitrile
CID 72723209
2-[(2Z)-2-[(2E)-2-(benzo[e][1,3]benzoxazol-2-ylmethylidene)butylidene]-5-fluoro-1,3-benzothiazol-3-yl]acetic acid
CID 89350945
methyl benzo[e][1,3]benzoxazole-2-carboxylate
CID 83387453
2-pyren-1-ylbenzo[e][1,3]benzoxazole
CID 71545071

Frequently Asked Questions

What is the IUPAC name of 2-[(E,3E)-3-(3-methyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]benzo[e][1,3]benzoxazole?
The IUPAC name of 2-[(E,3E)-3-(3-methyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]benzo[e][1,3]benzoxazole (CID 135469617) is 2-[(E,3E)-3-(3-methyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]benzo[e][1,3]benzoxazole.
What is the SMILES notation for 2-[(E,3E)-3-(3-methyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]benzo[e][1,3]benzoxazole?
The canonical SMILES for 2-[(E,3E)-3-(3-methyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]benzo[e][1,3]benzoxazole is CN1CCS/C1=C/C=C/c1nc2c(ccc3ccccc32)o1.
What is the InChIKey of 2-[(E,3E)-3-(3-methyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]benzo[e][1,3]benzoxazole?
The InChIKey is SQIIVPGPILINBP-AQHRCUNFSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-20-11-12-22-17(20)8-4-7-16-19-18-14-6-3-2-5-13(14)9-10-15(18)21-16/h2-10H,11-12H2,1H3/b7-4+,17-8+.
What are the key properties of 2-[(E,3E)-3-(3-methyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]benzo[e][1,3]benzoxazole?
2-[(E,3E)-3-(3-methyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]benzo[e][1,3]benzoxazole has a molecular weight of 308.41 g/mol, XLogP of 4.51, 2 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-methyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]benzo[e][1,3]benzoxazole is sourced from PubChem (CID 135469617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).