(2Z)-2-[(7,8-dichloro-4H-chromeno[4,3-d][1,3]thiazol-2-yl)hydrazinylidene]-3-(2-nitrophenyl)propanoic acid

C19H12Cl2N4O5S — CID 87278522

IUPAC(2Z)-2-[(7,8-dichloro-4H-chromeno[4,3-d][1,3]thiazol-2-yl)hydrazinylidene]-3-(2-nitrophenyl)propanoic acid
SMILESO=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc2c(s1)COc1cc(Cl)c(Cl)cc1-2
InChIInChI=1S/C19H12Cl2N4O5S/c20-11-6-10-15(7-12(11)21)30-8-16-17(10)22-19(31-16)24-23-13(18(26)27)5-9-3-1-2-4-14(9)25(28)29/h1-4,6-7H,5,8H2,(H,22,24)(H,26,27)/b23-13-
InChIKeyKOZBTIDUIKQFSM-QRVIBDJDSA-N
MW479.30 g/mol
LogP5.01
Rot. Bonds6

About (2Z)-2-[(7,8-dichloro-4H-chromeno[4,3-d][1,3]thiazol-2-yl)hydrazinylidene]-3-(2-nitrophenyl)propanoic acid

(2Z)-2-[(7,8-dichloro-4H-chromeno[4,3-d][1,3]thiazol-2-yl)hydrazinylidene]-3-(2-nitrophenyl)propanoic acid (PubChem CID 87278522) has the molecular formula C19H12Cl2N4O5S and a molecular weight of 479.30 g/mol. Its IUPAC name is (2Z)-2-[(7,8-dichloro-4H-chromeno[4,3-d][1,3]thiazol-2-yl)hydrazinylidene]-3-(2-nitrophenyl)propanoic acid.

Molecular Properties

Compound Name(2Z)-2-[(7,8-dichloro-4H-chromeno[4,3-d][1,3]thiazol-2-yl)hydrazinylidene]-3-(2-nitrophenyl)propanoic acid
PubChem CID87278522
Molecular FormulaC19H12Cl2N4O5S
Molecular Weight479.30 g/mol
Exact Mass477.99
IUPAC Name(2Z)-2-[(7,8-dichloro-4H-chromeno[4,3-d][1,3]thiazol-2-yl)hydrazinylidene]-3-(2-nitrophenyl)propanoic acid
SMILESO=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc2c(s1)COc1cc(Cl)c(Cl)cc1-2
InChIInChI=1S/C19H12Cl2N4O5S/c20-11-6-10-15(7-12(11)21)30-8-16-17(10)22-19(31-16)24-23-13(18(26)27)5-9-3-1-2-4-14(9)25(28)29/h1-4,6-7H,5,8H2,(H,22,24)(H,26,27)/b23-13-
InChIKeyKOZBTIDUIKQFSM-QRVIBDJDSA-N
XLogP5.01
TPSA126.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.30
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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(2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid
CID 6400570
(2Z)-2-[[4-[4-(2-azidoethoxy)phenyl]-1,3-thiazol-2-yl]hydrazinylidene]-3-(2-nitrophenyl)propanoic acid
CID 140611607
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CID 172929782
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(2R)-2-[(3,4-dichlorophenyl)methyl-[2-(2-nitrophenyl)acetyl]amino]-N-propylpropanamide
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N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-nitrophenyl)acetamide
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CID 31557122

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(7,8-dichloro-4H-chromeno[4,3-d][1,3]thiazol-2-yl)hydrazinylidene]-3-(2-nitrophenyl)propanoic acid?
The IUPAC name of (2Z)-2-[(7,8-dichloro-4H-chromeno[4,3-d][1,3]thiazol-2-yl)hydrazinylidene]-3-(2-nitrophenyl)propanoic acid (CID 87278522) is (2Z)-2-[(7,8-dichloro-4H-chromeno[4,3-d][1,3]thiazol-2-yl)hydrazinylidene]-3-(2-nitrophenyl)propanoic acid.
What is the SMILES notation for (2Z)-2-[(7,8-dichloro-4H-chromeno[4,3-d][1,3]thiazol-2-yl)hydrazinylidene]-3-(2-nitrophenyl)propanoic acid?
The canonical SMILES for (2Z)-2-[(7,8-dichloro-4H-chromeno[4,3-d][1,3]thiazol-2-yl)hydrazinylidene]-3-(2-nitrophenyl)propanoic acid is O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc2c(s1)COc1cc(Cl)c(Cl)cc1-2.
What is the InChIKey of (2Z)-2-[(7,8-dichloro-4H-chromeno[4,3-d][1,3]thiazol-2-yl)hydrazinylidene]-3-(2-nitrophenyl)propanoic acid?
The InChIKey is KOZBTIDUIKQFSM-QRVIBDJDSA-N. The full InChI is InChI=1S/C19H12Cl2N4O5S/c20-11-6-10-15(7-12(11)21)30-8-16-17(10)22-19(31-16)24-23-13(18(26)27)5-9-3-1-2-4-14(9)25(28)29/h1-4,6-7H,5,8H2,(H,22,24)(H,26,27)/b23-13-.
What are the key properties of (2Z)-2-[(7,8-dichloro-4H-chromeno[4,3-d][1,3]thiazol-2-yl)hydrazinylidene]-3-(2-nitrophenyl)propanoic acid?
(2Z)-2-[(7,8-dichloro-4H-chromeno[4,3-d][1,3]thiazol-2-yl)hydrazinylidene]-3-(2-nitrophenyl)propanoic acid has a molecular weight of 479.30 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(7,8-dichloro-4H-chromeno[4,3-d][1,3]thiazol-2-yl)hydrazinylidene]-3-(2-nitrophenyl)propanoic acid is sourced from PubChem (CID 87278522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).