N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide

C19H11FN2O3S — CID 3392320

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H11FN2O3S/c20-12-7-5-11(6-8-12)14-10-26-19(21-14)22-18(24)17-9-15(23)13-3-1-2-4-16(13)25-17/h1-10H,(H,21,22,24)
InChIKeyUVTTVJFSGSEUOR-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.31
Rot. Bonds3

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide (PubChem CID 3392320) has the molecular formula C19H11FN2O3S and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide
PubChem CID3392320
Molecular FormulaC19H11FN2O3S
Molecular Weight366.37 g/mol
Exact Mass366.05
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H11FN2O3S/c20-12-7-5-11(6-8-12)14-10-26-19(21-14)22-18(24)17-9-15(23)13-3-1-2-4-16(13)25-17/h1-10H,(H,21,22,24)
InChIKeyUVTTVJFSGSEUOR-UHFFFAOYSA-N
XLogP4.31
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 694812
2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 747501
2,6-Dimethoxy-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 954627
2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 2464348
ethyl 2-(4-oxo-4H-chromene-2-carboxamido)thiazole-4-carboxylate
CID 3386436
Ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 3548924
N-(4-(4-methoxyphenyl)thiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide
CID 3397982
2-Methoxy-N-{4-[4-(morpholine-4-sulfonyl)-phenyl]-thiazol-2-yl}-benzamide
CID 979629
N-(4-Methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide
CID 2092675
4-oxo-N-(4-phenylthiazol-2-yl)-4H-chromene-2-carboxamide
CID 746084
N-(4-phenyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
CID 996522

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide (CID 3392320) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide is O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide?
The InChIKey is UVTTVJFSGSEUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN2O3S/c20-12-7-5-11(6-8-12)14-10-26-19(21-14)22-18(24)17-9-15(23)13-3-1-2-4-16(13)25-17/h1-10H,(H,21,22,24).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 3392320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).