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

C19H12FN3O2S — CID 5085749

IUPAC2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccc(F)cc1
InChIInChI=1S/C19H12FN3O2S/c20-13-5-7-14(8-6-13)22-18-15(17(24)23-19-21-9-10-26-19)11-12-3-1-2-4-16(12)25-18/h1-11H,(H,21,23,24)/b22-18-
InChIKeyKXXDEPRTCZIDDD-PYCFMQQDSA-N
MW365.39 g/mol
LogP4.51
Rot. Bonds3

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

2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 5085749) has the molecular formula C19H12FN3O2S and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID5085749
Molecular FormulaC19H12FN3O2S
Molecular Weight365.39 g/mol
Exact Mass365.06
IUPAC Name2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccc(F)cc1
InChIInChI=1S/C19H12FN3O2S/c20-13-5-7-14(8-6-13)22-18-15(17(24)23-19-21-9-10-26-19)11-12-3-1-2-4-16(12)25-18/h1-11H,(H,21,23,24)/b22-18-
InChIKeyKXXDEPRTCZIDDD-PYCFMQQDSA-N
XLogP4.51
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 5085749) is 2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is KXXDEPRTCZIDDD-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H12FN3O2S/c20-13-5-7-14(8-6-13)22-18-15(17(24)23-19-21-9-10-26-19)11-12-3-1-2-4-16(12)25-18/h1-11H,(H,21,23,24)/b22-18-.
What are the key properties of 2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 5085749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).