4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

C25H18N2O3S2 — CID 108800017

IUPAC4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCc1cc(C)c2oc(-c3ccc(C(=O)Nc4nc(-c5cccs5)cs4)cc3)cc(=O)c2c1
InChIInChI=1S/C25H18N2O3S2/c1-14-10-15(2)23-18(11-14)20(28)12-21(30-23)16-5-7-17(8-6-16)24(29)27-25-26-19(13-32-25)22-4-3-9-31-22/h3-13H,1-2H3,(H,26,27,29)
InChIKeyISDXWTWBQPKELV-UHFFFAOYSA-N
MW458.56 g/mol
LogP6.51
Rot. Bonds4

About 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 108800017) has the molecular formula C25H18N2O3S2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID108800017
Molecular FormulaC25H18N2O3S2
Molecular Weight458.56 g/mol
Exact Mass458.08
IUPAC Name4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCc1cc(C)c2oc(-c3ccc(C(=O)Nc4nc(-c5cccs5)cs4)cc3)cc(=O)c2c1
InChIInChI=1S/C25H18N2O3S2/c1-14-10-15(2)23-18(11-14)20(28)12-21(30-23)16-5-7-17(8-6-16)24(29)27-25-26-19(13-32-25)22-4-3-9-31-22/h3-13H,1-2H3,(H,26,27,29)
InChIKeyISDXWTWBQPKELV-UHFFFAOYSA-N
XLogP6.51
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide with MolForge

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Related Compounds

N-(4-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108786947
propan-2-yl 2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108787096
2-(2,4-dimethylphenyl)-1,3-dioxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 108764600
4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4220609
N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799946
4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 7579191
4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 108742096
N-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787133
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 31845736
2-(5-methylfuran-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 5086616
3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4527013
6-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 51260316

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (CID 108800017) is 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is Cc1cc(C)c2oc(-c3ccc(C(=O)Nc4nc(-c5cccs5)cs4)cc3)cc(=O)c2c1.
What is the InChIKey of 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ISDXWTWBQPKELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O3S2/c1-14-10-15(2)23-18(11-14)20(28)12-21(30-23)16-5-7-17(8-6-16)24(29)27-25-26-19(13-32-25)22-4-3-9-31-22/h3-13H,1-2H3,(H,26,27,29).
What are the key properties of 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 458.56 g/mol, XLogP of 6.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 108800017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).