4-(2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)benzamide

C19H12N2O3S — CID 942201

IUPAC4-(2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(-c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C19H12N2O3S/c22-17(21-19-20-9-10-25-19)13-7-5-12(6-8-13)15-11-14-3-1-2-4-16(14)24-18(15)23/h1-11H,(H,20,21,22)
InChIKeyBEGXXDBAAQUNBX-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.17
Rot. Bonds3

About 4-(2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)benzamide

4-(2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 942201) has the molecular formula C19H12N2O3S and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-(2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID942201
Molecular FormulaC19H12N2O3S
Molecular Weight348.38 g/mol
Exact Mass348.06
IUPAC Name4-(2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(-c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C19H12N2O3S/c22-17(21-19-20-9-10-25-19)13-7-5-12(6-8-13)15-11-14-3-1-2-4-16(14)24-18(15)23/h1-11H,(H,20,21,22)
InChIKeyBEGXXDBAAQUNBX-UHFFFAOYSA-N
XLogP4.17
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2-oxochromen-3-yl)benzamide
CID 2001935
4-(2-oxochromen-3-yl)-N-(2,4,5-trichlorophenyl)benzamide
CID 4695361
4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide
CID 3893067
ethyl 4-methyl-2-[[4-(2-oxochromen-3-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 39044279
4-(2-oxochromen-3-yl)benzoate
CID 4249737
N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide
CID 2958481
N-(2-chloro-4-iodophenyl)-4-(2-oxochromen-3-yl)benzamide
CID 3978077
4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 4243574
N-(9,10-dioxoanthracen-1-yl)-4-(2-oxochromen-3-yl)benzamide
CID 3707397
3-chloro-N-[4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]benzamide
CID 3322024
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 6486652

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)benzamide (CID 942201) is 4-(2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(-c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of 4-(2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is BEGXXDBAAQUNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3S/c22-17(21-19-20-9-10-25-19)13-7-5-12(6-8-13)15-11-14-3-1-2-4-16(14)24-18(15)23/h1-11H,(H,20,21,22).
What are the key properties of 4-(2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)benzamide?
4-(2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 348.38 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 942201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).