N-(2-bromophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide

C20H13BrN2O4S — CID 43025347

IUPACN-(2-bromophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
SMILESO=C(CC1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1ccccc1Br
InChIInChI=1S/C20H13BrN2O4S/c21-13-6-2-3-7-14(13)22-17(24)10-16-18(25)23-19(28-16)12-9-11-5-1-4-8-15(11)27-20(12)26/h1-9,16H,10H2,(H,22,24)
InChIKeyGDUAOBYBNFJILR-UHFFFAOYSA-N
MW457.31 g/mol
LogP3.97
Rot. Bonds4

About N-(2-bromophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide

N-(2-bromophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide (PubChem CID 43025347) has the molecular formula C20H13BrN2O4S and a molecular weight of 457.31 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
PubChem CID43025347
Molecular FormulaC20H13BrN2O4S
Molecular Weight457.31 g/mol
Exact Mass455.98
IUPAC NameN-(2-bromophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
SMILESO=C(CC1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1ccccc1Br
InChIInChI=1S/C20H13BrN2O4S/c21-13-6-2-3-7-14(13)22-17(24)10-16-18(25)23-19(28-16)12-9-11-5-1-4-8-15(11)27-20(12)26/h1-9,16H,10H2,(H,22,24)
InChIKeyGDUAOBYBNFJILR-UHFFFAOYSA-N
XLogP3.97
TPSA88.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.31
LogP ≤ 53.97
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-(3-chloro-2-methylphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
CID 43025340
N-(4-chlorophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
CID 47007137
N-(4-ethoxyphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
CID 43025351
2-[(5S)-4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 27438446
2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-1-ylacetamide
CID 135725481
N-(2-bromophenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 93020213
N-(2-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 135725459
N-(2-bromophenyl)-2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135673104
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide
CID 7158134
N-(2-bromophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371785
N-naphthalen-1-yl-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 30097441
N-(2-bromophenyl)-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 18892032

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide (CID 43025347) is N-(2-bromophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide is O=C(CC1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide?
The InChIKey is GDUAOBYBNFJILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2O4S/c21-13-6-2-3-7-14(13)22-17(24)10-16-18(25)23-19(28-16)12-9-11-5-1-4-8-15(11)27-20(12)26/h1-9,16H,10H2,(H,22,24).
What are the key properties of N-(2-bromophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide?
N-(2-bromophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 457.31 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 43025347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).