(2Z)-2-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile

C14H10F2N2O2S — CID 8829400

IUPAC(2Z)-2-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
SMILESCn1c(=O)/c(=C\c2ccccc2OC(F)F)s/c1=C\C#N
InChIInChI=1S/C14H10F2N2O2S/c1-18-12(6-7-17)21-11(13(18)19)8-9-4-2-3-5-10(9)20-14(15)16/h2-6,8,14H,1H3/b11-8+,12-6-
InChIKeyIZQSQGBUUZCRSK-LDFLOVLVSA-N
MW308.31 g/mol
LogP1.18
Rot. Bonds3

About (2Z)-2-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile

(2Z)-2-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile (PubChem CID 8829400) has the molecular formula C14H10F2N2O2S and a molecular weight of 308.31 g/mol. Its IUPAC name is (2Z)-2-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile.

Molecular Properties

Compound Name(2Z)-2-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
PubChem CID8829400
Molecular FormulaC14H10F2N2O2S
Molecular Weight308.31 g/mol
Exact Mass308.04
IUPAC Name(2Z)-2-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
SMILESCn1c(=O)/c(=C\c2ccccc2OC(F)F)s/c1=C\C#N
InChIInChI=1S/C14H10F2N2O2S/c1-18-12(6-7-17)21-11(13(18)19)8-9-4-2-3-5-10(9)20-14(15)16/h2-6,8,14H,1H3/b11-8+,12-6-
InChIKeyIZQSQGBUUZCRSK-LDFLOVLVSA-N
XLogP1.18
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 2479572
(2Z)-2-[(5Z)-5-[[3-[(E)-[(2Z)-2-(cyanomethylidene)-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 8829379
(2Z)-2-[(5E)-3-methyl-5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 8829604
2-[5-[[2-(difluoromethoxy)phenyl]methylidene]-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-phenylpropanenitrile
CID 3453406
(2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 6389539
(2Z)-2-[(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 8829624
(2Z)-2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 8685233
ethyl (2E,5R)-2-[[2-(difluoromethoxy)phenyl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 29093595
(2Z)-2-[(5Z)-5-[(4-cyanophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 8827958
13-[[2-(difluoromethoxy)phenyl]methylidene]-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.02,7.011,15]hexadeca-2,4,6,10-tetraene-16-carboxamide
CID 71831007
(2E,5R)-2-[[2-(difluoromethoxy)phenyl]methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126174592
(2E,5S)-2-[[2-(difluoromethoxy)phenyl]methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126174589

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile?
The IUPAC name of (2Z)-2-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile (CID 8829400) is (2Z)-2-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile.
What is the SMILES notation for (2Z)-2-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile?
The canonical SMILES for (2Z)-2-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile is Cn1c(=O)/c(=C\c2ccccc2OC(F)F)s/c1=C\C#N.
What is the InChIKey of (2Z)-2-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile?
The InChIKey is IZQSQGBUUZCRSK-LDFLOVLVSA-N. The full InChI is InChI=1S/C14H10F2N2O2S/c1-18-12(6-7-17)21-11(13(18)19)8-9-4-2-3-5-10(9)20-14(15)16/h2-6,8,14H,1H3/b11-8+,12-6-.
What are the key properties of (2Z)-2-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile?
(2Z)-2-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile has a molecular weight of 308.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile is sourced from PubChem (CID 8829400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).