2-[[2-(4-methylphenyl)furo[2,3-d][1,3]thiazol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione

C26H15NO3S — CID 170175265

IUPAC2-[[2-(4-methylphenyl)furo[2,3-d][1,3]thiazol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESCc1ccc(-c2nc3oc(C=C4C(=O)c5cc6ccccc6cc5C4=O)cc3s2)cc1
InChIInChI=1S/C26H15NO3S/c1-14-6-8-15(9-7-14)26-27-25-22(31-26)13-18(30-25)12-21-23(28)19-10-16-4-2-3-5-17(16)11-20(19)24(21)29/h2-13H,1H3
InChIKeyCAMQESCQDLIDTQ-UHFFFAOYSA-N
MW421.48 g/mol
LogP6.48
Rot. Bonds2

About 2-[[2-(4-methylphenyl)furo[2,3-d][1,3]thiazol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[[2-(4-methylphenyl)furo[2,3-d][1,3]thiazol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 170175265) has the molecular formula C26H15NO3S and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-[[2-(4-methylphenyl)furo[2,3-d][1,3]thiazol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

Compound Name2-[[2-(4-methylphenyl)furo[2,3-d][1,3]thiazol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
PubChem CID170175265
Molecular FormulaC26H15NO3S
Molecular Weight421.48 g/mol
Exact Mass421.08
IUPAC Name2-[[2-(4-methylphenyl)furo[2,3-d][1,3]thiazol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESCc1ccc(-c2nc3oc(C=C4C(=O)c5cc6ccccc6cc5C4=O)cc3s2)cc1
InChIInChI=1S/C26H15NO3S/c1-14-6-8-15(9-7-14)26-27-25-22(31-26)13-18(30-25)12-21-23(28)19-10-16-4-2-3-5-17(16)11-20(19)24(21)29/h2-13H,1H3
InChIKeyCAMQESCQDLIDTQ-UHFFFAOYSA-N
XLogP6.48
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.48
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-[[2-(4-methylphenyl)furo[2,3-d][1,3]thiazol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]furo[2,3-d][1,3]thiazol-2-yl]benzonitrile
CID 170175243
2-[[5-(4-methylphenyl)thieno[3,2-b]furan-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 170175022
(2E)-5-ethyl-6-methyl-2-[[2-[4-(trifluoromethyl)phenyl]furo[2,3-d][1,3]thiazol-5-yl]methylidene]indene-1,3-dione
CID 170175259
(2E)-4-chloro-7-methyl-2-[(2-phenylfuro[2,3-d][1,3]thiazol-5-yl)methylidene]indene-1,3-dione
CID 170175240
2-[(5-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 168736092
2-[[4-methyl-5-(4-phenylphenyl)imidazo[4,5-d][1,3]thiazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 168735631
2-[[5-(4-chlorophenyl)-4-methylimidazo[4,5-d][1,3]thiazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 168735407
2-[[5-(1-benzofuran-2-yl)-[1,3]thiazolo[5,4-d][1,3]oxazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 168735660
2-[[5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 168736342
2-[(5-naphthalen-2-ylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 168735574
2-[[16-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 164984106
2-[(2Z)-3-hydroxy-2-[(2-naphthalen-2-ylfuro[2,3-d][1,3]thiazol-5-yl)methylidene]-3H-inden-1-ylidene]propanedinitrile
CID 170175263

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylphenyl)furo[2,3-d][1,3]thiazol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?
The IUPAC name of 2-[[2-(4-methylphenyl)furo[2,3-d][1,3]thiazol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 170175265) is 2-[[2-(4-methylphenyl)furo[2,3-d][1,3]thiazol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.
What is the SMILES notation for 2-[[2-(4-methylphenyl)furo[2,3-d][1,3]thiazol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?
The canonical SMILES for 2-[[2-(4-methylphenyl)furo[2,3-d][1,3]thiazol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is Cc1ccc(-c2nc3oc(C=C4C(=O)c5cc6ccccc6cc5C4=O)cc3s2)cc1.
What is the InChIKey of 2-[[2-(4-methylphenyl)furo[2,3-d][1,3]thiazol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?
The InChIKey is CAMQESCQDLIDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15NO3S/c1-14-6-8-15(9-7-14)26-27-25-22(31-26)13-18(30-25)12-21-23(28)19-10-16-4-2-3-5-17(16)11-20(19)24(21)29/h2-13H,1H3.
What are the key properties of 2-[[2-(4-methylphenyl)furo[2,3-d][1,3]thiazol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?
2-[[2-(4-methylphenyl)furo[2,3-d][1,3]thiazol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 421.48 g/mol, XLogP of 6.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylphenyl)furo[2,3-d][1,3]thiazol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 170175265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).