2-(4-fluorophenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

C19H11FN4O4S — CID 4688784

IUPAC2-(4-fluorophenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2cc([N+](=O)[O-])ccc2o/c1=N\c1ccc(F)cc1
InChIInChI=1S/C19H11FN4O4S/c20-12-1-3-13(4-2-12)22-18-15(17(25)23-19-21-7-8-29-19)10-11-9-14(24(26)27)5-6-16(11)28-18/h1-10H,(H,21,23,25)/b22-18-
InChIKeyGSDSPPJVNYYVPA-PYCFMQQDSA-N
MW410.39 g/mol
LogP4.42
Rot. Bonds4

About 2-(4-fluorophenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

2-(4-fluorophenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 4688784) has the molecular formula C19H11FN4O4S and a molecular weight of 410.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID4688784
Molecular FormulaC19H11FN4O4S
Molecular Weight410.39 g/mol
Exact Mass410.05
IUPAC Name2-(4-fluorophenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2cc([N+](=O)[O-])ccc2o/c1=N\c1ccc(F)cc1
InChIInChI=1S/C19H11FN4O4S/c20-12-1-3-13(4-2-12)22-18-15(17(25)23-19-21-7-8-29-19)10-11-9-14(24(26)27)5-6-16(11)28-18/h1-10H,(H,21,23,25)/b22-18-
InChIKeyGSDSPPJVNYYVPA-PYCFMQQDSA-N
XLogP4.42
TPSA110.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 4688784) is 2-(4-fluorophenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is O=C(Nc1nccs1)c1cc2cc([N+](=O)[O-])ccc2o/c1=N\c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is GSDSPPJVNYYVPA-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H11FN4O4S/c20-12-1-3-13(4-2-12)22-18-15(17(25)23-19-21-7-8-29-19)10-11-9-14(24(26)27)5-6-16(11)28-18/h1-10H,(H,21,23,25)/b22-18-.
What are the key properties of 2-(4-fluorophenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
2-(4-fluorophenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 410.39 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 4688784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).