2,2-dimethyl-4-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide

C26H21N3O3S — CID 108748606

IUPAC2,2-dimethyl-4-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3cccc(-c4csc(-c5cccnc5)n4)c3)ccc2O1
InChIInChI=1S/C26H21N3O3S/c1-26(2)13-22(30)20-12-17(8-9-23(20)32-26)24(31)28-19-7-3-5-16(11-19)21-15-33-25(29-21)18-6-4-10-27-14-18/h3-12,14-15H,13H2,1-2H3,(H,28,31)
InChIKeyGVKJBBVFQLMEPN-UHFFFAOYSA-N
MW455.54 g/mol
LogP5.87
Rot. Bonds4

About 2,2-dimethyl-4-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide

2,2-dimethyl-4-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide (PubChem CID 108748606) has the molecular formula C26H21N3O3S and a molecular weight of 455.54 g/mol. Its IUPAC name is 2,2-dimethyl-4-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-4-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide
PubChem CID108748606
Molecular FormulaC26H21N3O3S
Molecular Weight455.54 g/mol
Exact Mass455.13
IUPAC Name2,2-dimethyl-4-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3cccc(-c4csc(-c5cccnc5)n4)c3)ccc2O1
InChIInChI=1S/C26H21N3O3S/c1-26(2)13-22(30)20-12-17(8-9-23(20)32-26)24(31)28-19-7-3-5-16(11-19)21-15-33-25(29-21)18-6-4-10-27-14-18/h3-12,14-15H,13H2,1-2H3,(H,28,31)
InChIKeyGVKJBBVFQLMEPN-UHFFFAOYSA-N
XLogP5.87
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.54
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide
CID 108727448
2,2-dimethyl-4-oxo-N-pyridin-3-yl-3H-chromene-6-carboxamide
CID 108793239
N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)pyridine-3-carboxamide
CID 108765324
2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide
CID 108770555
4-(dimethylamino)-3-nitro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748555
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805107
2,3,4-trifluoro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748572
6-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108748545
2,2-dimethyl-5-[[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168539982
2,2-dimethyl-4-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-3H-chromene-6-carboxamide
CID 108744668
N-(2-acetylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805235
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748751

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide?
The IUPAC name of 2,2-dimethyl-4-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide (CID 108748606) is 2,2-dimethyl-4-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide.
What is the SMILES notation for 2,2-dimethyl-4-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide?
The canonical SMILES for 2,2-dimethyl-4-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide is CC1(C)CC(=O)c2cc(C(=O)Nc3cccc(-c4csc(-c5cccnc5)n4)c3)ccc2O1.
What is the InChIKey of 2,2-dimethyl-4-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide?
The InChIKey is GVKJBBVFQLMEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3S/c1-26(2)13-22(30)20-12-17(8-9-23(20)32-26)24(31)28-19-7-3-5-16(11-19)21-15-33-25(29-21)18-6-4-10-27-14-18/h3-12,14-15H,13H2,1-2H3,(H,28,31).
What are the key properties of 2,2-dimethyl-4-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide?
2,2-dimethyl-4-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide is sourced from PubChem (CID 108748606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).