2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide

C20H16N2O4S2 — CID 75366526

IUPAC2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc2c(C)c(CC(=O)Nc3nc(-c4cccs4)cs3)c(=O)oc2c1
InChIInChI=1S/C20H16N2O4S2/c1-11-13-6-5-12(25-2)8-16(13)26-19(24)14(11)9-18(23)22-20-21-15(10-28-20)17-4-3-7-27-17/h3-8,10H,9H2,1-2H3,(H,21,22,23)
InChIKeyCDPIMEGVLAJMOK-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.48
Rot. Bonds5

About 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide

2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 75366526) has the molecular formula C20H16N2O4S2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID75366526
Molecular FormulaC20H16N2O4S2
Molecular Weight412.49 g/mol
Exact Mass412.06
IUPAC Name2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc2c(C)c(CC(=O)Nc3nc(-c4cccs4)cs3)c(=O)oc2c1
InChIInChI=1S/C20H16N2O4S2/c1-11-13-6-5-12(25-2)8-16(13)26-19(24)14(11)9-18(23)22-20-21-15(10-28-20)17-4-3-7-27-17/h3-8,10H,9H2,1-2H3,(H,21,22,23)
InChIKeyCDPIMEGVLAJMOK-UHFFFAOYSA-N
XLogP4.48
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 39040767
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 52899161
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 16604979
N-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4893034
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 46514539
2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide
CID 52905239
(2R)-2-[[2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]pentanoic acid
CID 907922
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 8002261
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]propanamide
CID 47074555
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 31765063
3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4527013
2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 29456306

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (CID 75366526) is 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is COc1ccc2c(C)c(CC(=O)Nc3nc(-c4cccs4)cs3)c(=O)oc2c1.
What is the InChIKey of 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is CDPIMEGVLAJMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S2/c1-11-13-6-5-12(25-2)8-16(13)26-19(24)14(11)9-18(23)22-20-21-15(10-28-20)17-4-3-7-27-17/h3-8,10H,9H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 412.49 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 75366526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).