2,2-difluoro-1-[2-[(E)-2-phenylethenyl]-1,3-thiazol-5-yl]ethanone

C13H9F2NOS — CID 143872082

IUPAC2,2-difluoro-1-[2-[(E)-2-phenylethenyl]-1,3-thiazol-5-yl]ethanone
SMILESO=C(c1cnc(/C=C/c2ccccc2)s1)C(F)F
InChIInChI=1S/C13H9F2NOS/c14-13(15)12(17)10-8-16-11(18-10)7-6-9-4-2-1-3-5-9/h1-8,13H/b7-6+
InChIKeyBDDIIWFNAPWLKM-VOTSOKGWSA-N
MW265.28 g/mol
LogP3.76
Rot. Bonds4

About 2,2-difluoro-1-[2-[(E)-2-phenylethenyl]-1,3-thiazol-5-yl]ethanone

2,2-difluoro-1-[2-[(E)-2-phenylethenyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 143872082) has the molecular formula C13H9F2NOS and a molecular weight of 265.28 g/mol. Its IUPAC name is 2,2-difluoro-1-[2-[(E)-2-phenylethenyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[2-[(E)-2-phenylethenyl]-1,3-thiazol-5-yl]ethanone
PubChem CID143872082
Molecular FormulaC13H9F2NOS
Molecular Weight265.28 g/mol
Exact Mass265.04
IUPAC Name2,2-difluoro-1-[2-[(E)-2-phenylethenyl]-1,3-thiazol-5-yl]ethanone
SMILESO=C(c1cnc(/C=C/c2ccccc2)s1)C(F)F
InChIInChI=1S/C13H9F2NOS/c14-13(15)12(17)10-8-16-11(18-10)7-6-9-4-2-1-3-5-9/h1-8,13H/b7-6+
InChIKeyBDDIIWFNAPWLKM-VOTSOKGWSA-N
XLogP3.76
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-[(E)-2-(5-methoxycarbonyl-1,3-thiazol-2-yl)ethenyl]phenoxy]propanoic acid
CID 95156840
(2R)-2-[3-[(Z)-2-[5-(methylcarbamoyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]propanoic acid
CID 97464267
3-[3-[(Z)-2-[5-(methylcarbamoyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]propanoic acid
CID 97464268
2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole-5-carboxylic acid
CID 91641963
acetic acid;stilbene
CID 172803728
5-(2-phenylethenyl)-1,3-thiazole-4-carboxylic acid
CID 174437108
2-phenyl-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3770330
methyl 5-[5-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate
CID 174490532
2-(4-hydroxybut-1-enyl)-1,3-thiazole-5-carboxylic acid
CID 170476297
methyl 2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole-5-carboxylate
CID 122136157
2-[(E)-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylic acid
CID 167875600
2,3-bis[(E)-2-phenylethenyl]pyrazine
CID 15654808

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[2-[(E)-2-phenylethenyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[2-[(E)-2-phenylethenyl]-1,3-thiazol-5-yl]ethanone (CID 143872082) is 2,2-difluoro-1-[2-[(E)-2-phenylethenyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[2-[(E)-2-phenylethenyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[2-[(E)-2-phenylethenyl]-1,3-thiazol-5-yl]ethanone is O=C(c1cnc(/C=C/c2ccccc2)s1)C(F)F.
What is the InChIKey of 2,2-difluoro-1-[2-[(E)-2-phenylethenyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is BDDIIWFNAPWLKM-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H9F2NOS/c14-13(15)12(17)10-8-16-11(18-10)7-6-9-4-2-1-3-5-9/h1-8,13H/b7-6+.
What are the key properties of 2,2-difluoro-1-[2-[(E)-2-phenylethenyl]-1,3-thiazol-5-yl]ethanone?
2,2-difluoro-1-[2-[(E)-2-phenylethenyl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 265.28 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[2-[(E)-2-phenylethenyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 143872082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).