(6Z)-5-imino-6-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one

C23H15N5O3S — CID 46253106

IUPAC(6Z)-5-imino-6-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SMILES[H]/N=C1C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)\C(=O)N=C2SC=C(c3ccccc3)N2\1
InChIInChI=1S/C23H15N5O3S/c24-21-19(13-18-7-4-12-26(18)16-8-10-17(11-9-16)28(30)31)22(29)25-23-27(21)20(14-32-23)15-5-2-1-3-6-15/h1-14,24H/b19-13-,24-21+
InChIKeyWZARZCDKLIEJMQ-RXBBGTROSA-N
MW441.47 g/mol
LogP4.69
Rot. Bonds4

About (6Z)-5-imino-6-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one

(6Z)-5-imino-6-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one (PubChem CID 46253106) has the molecular formula C23H15N5O3S and a molecular weight of 441.47 g/mol. Its IUPAC name is (6Z)-5-imino-6-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name(6Z)-5-imino-6-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
PubChem CID46253106
Molecular FormulaC23H15N5O3S
Molecular Weight441.47 g/mol
Exact Mass441.09
IUPAC Name(6Z)-5-imino-6-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SMILES[H]/N=C1C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)\C(=O)N=C2SC=C(c3ccccc3)N2\1
InChIInChI=1S/C23H15N5O3S/c24-21-19(13-18-7-4-12-26(18)16-8-10-17(11-9-16)28(30)31)22(29)25-23-27(21)20(14-32-23)15-5-2-1-3-6-15/h1-14,24H/b19-13-,24-21+
InChIKeyWZARZCDKLIEJMQ-RXBBGTROSA-N
XLogP4.69
TPSA104.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (6Z)-5-imino-6-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one 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

(6Z)-6-benzylidene-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 921151
5-imino-6-[(5-nitrofuran-2-yl)methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 1334065
(6E)-5-imino-6-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-2-(1-phenylpropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 46253152
5-imino-6-(naphthalen-1-ylmethylidene)-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 1022161
(6Z)-6-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 1388711
5-imino-6-[[4-(3-phenoxypropoxy)phenyl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 4271769
(6Z)-5-imino-6-[(4-oxochromen-3-yl)methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 46258238
6-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 5135271
6-[[3-ethoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 3337234
6-[(2,5-dimethoxyphenyl)methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 4887582
6-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 3491261
(6Z)-6-[[1-(2-chloro-5-nitrophenyl)pyrrol-2-yl]methylidene]-5-imino-2-[(2-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 56727829

Frequently Asked Questions

What is the IUPAC name of (6Z)-5-imino-6-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of (6Z)-5-imino-6-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one (CID 46253106) is (6Z)-5-imino-6-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for (6Z)-5-imino-6-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for (6Z)-5-imino-6-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one is [H]/N=C1C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)\C(=O)N=C2SC=C(c3ccccc3)N2\1.
What is the InChIKey of (6Z)-5-imino-6-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The InChIKey is WZARZCDKLIEJMQ-RXBBGTROSA-N. The full InChI is InChI=1S/C23H15N5O3S/c24-21-19(13-18-7-4-12-26(18)16-8-10-17(11-9-16)28(30)31)22(29)25-23-27(21)20(14-32-23)15-5-2-1-3-6-15/h1-14,24H/b19-13-,24-21+.
What are the key properties of (6Z)-5-imino-6-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
(6Z)-5-imino-6-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one has a molecular weight of 441.47 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-5-imino-6-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 46253106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).