6-[(4-methyl-5-phenylpyrrolo[2,3-d][1,3]thiazol-2-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione

C20H12N4O2S — CID 168735762

IUPAC6-[(4-methyl-5-phenylpyrrolo[2,3-d][1,3]thiazol-2-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione
SMILESCn1c(-c2ccccc2)cc2sc(C=C3C(=O)c4nccnc4C3=O)nc21
InChIInChI=1S/C20H12N4O2S/c1-24-13(11-5-3-2-4-6-11)10-14-20(24)23-15(27-14)9-12-18(25)16-17(19(12)26)22-8-7-21-16/h2-10H,1H3
InChIKeyJCSBWQVPTKUIDO-UHFFFAOYSA-N
MW372.41 g/mol
LogP3.55
Rot. Bonds2

About 6-[(4-methyl-5-phenylpyrrolo[2,3-d][1,3]thiazol-2-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione

6-[(4-methyl-5-phenylpyrrolo[2,3-d][1,3]thiazol-2-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione (PubChem CID 168735762) has the molecular formula C20H12N4O2S and a molecular weight of 372.41 g/mol. Its IUPAC name is 6-[(4-methyl-5-phenylpyrrolo[2,3-d][1,3]thiazol-2-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione.

Molecular Properties

Compound Name6-[(4-methyl-5-phenylpyrrolo[2,3-d][1,3]thiazol-2-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione
PubChem CID168735762
Molecular FormulaC20H12N4O2S
Molecular Weight372.41 g/mol
Exact Mass372.07
IUPAC Name6-[(4-methyl-5-phenylpyrrolo[2,3-d][1,3]thiazol-2-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione
SMILESCn1c(-c2ccccc2)cc2sc(C=C3C(=O)c4nccnc4C3=O)nc21
InChIInChI=1S/C20H12N4O2S/c1-24-13(11-5-3-2-4-6-11)10-14-20(24)23-15(27-14)9-12-18(25)16-17(19(12)26)22-8-7-21-16/h2-10H,1H3
InChIKeyJCSBWQVPTKUIDO-UHFFFAOYSA-N
XLogP3.55
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

4,5,6,7-tetrafluoro-2-[(4-methyl-5-phenylpyrrolo[2,3-d][1,3]thiazol-2-yl)methylidene]indene-1,3-dione
CID 168735902
4,5,6,7-tetrachloro-2-[(4-methyl-5-phenylpyrrolo[2,3-d][1,3]thiazol-2-yl)methylidene]indene-1,3-dione
CID 168735604
(5Z)-5-[[5-(4-cyanophenyl)-4-methylpyrrolo[2,3-d][1,3]thiazol-2-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 170175404
2-[[4-methyl-5-(4-phenylphenyl)imidazo[4,5-d][1,3]thiazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 168735631
6,7-dibromo-2-[(4-methyl-5-phenylimidazo[4,5-d][1,3]thiazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 168735859
(3Z)-3-[[10-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-7-methyl-3,11-dithia-5,7,9-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]indene-1,2-dione
CID 164971072
2-[[4-methyl-5-[(E)-2-phenylethenyl]imidazo[4,5-d][1,3]thiazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 168735962
2-[(4-methyl-5-propan-2-ylimidazo[4,5-d][1,3]thiazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 168735431
(2E)-4,5,7-trifluoro-2-[(4-methyl-5-phenylthieno[3,2-b]pyrrol-2-yl)methylidene]-6-phosphanylindene-1,3-dione
CID 170174797
(2E)-4,5,7-trifluoro-6-iodo-2-[(4-methyl-5-phenylthieno[3,2-b]pyrrol-2-yl)methylidene]indene-1,3-dione
CID 170174799
1,3-diethyl-5-[(5-phenylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 168735521
2-[[5-(4-chlorophenyl)-4-methylimidazo[4,5-d][1,3]thiazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 168735407

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-5-phenylpyrrolo[2,3-d][1,3]thiazol-2-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione?
The IUPAC name of 6-[(4-methyl-5-phenylpyrrolo[2,3-d][1,3]thiazol-2-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione (CID 168735762) is 6-[(4-methyl-5-phenylpyrrolo[2,3-d][1,3]thiazol-2-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione.
What is the SMILES notation for 6-[(4-methyl-5-phenylpyrrolo[2,3-d][1,3]thiazol-2-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione?
The canonical SMILES for 6-[(4-methyl-5-phenylpyrrolo[2,3-d][1,3]thiazol-2-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione is Cn1c(-c2ccccc2)cc2sc(C=C3C(=O)c4nccnc4C3=O)nc21.
What is the InChIKey of 6-[(4-methyl-5-phenylpyrrolo[2,3-d][1,3]thiazol-2-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione?
The InChIKey is JCSBWQVPTKUIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O2S/c1-24-13(11-5-3-2-4-6-11)10-14-20(24)23-15(27-14)9-12-18(25)16-17(19(12)26)22-8-7-21-16/h2-10H,1H3.
What are the key properties of 6-[(4-methyl-5-phenylpyrrolo[2,3-d][1,3]thiazol-2-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione?
6-[(4-methyl-5-phenylpyrrolo[2,3-d][1,3]thiazol-2-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione has a molecular weight of 372.41 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-5-phenylpyrrolo[2,3-d][1,3]thiazol-2-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione is sourced from PubChem (CID 168735762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).