3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C18H18N2O4S — CID 42536012

IUPAC3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCOc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1nc(C)cs1
InChIInChI=1S/C18H18N2O4S/c1-10-6-17(22)24-15-8-14(23-3)12(7-13(10)15)4-5-16(21)20-18-19-11(2)9-25-18/h6-9H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyDTDKDEODUGGTHJ-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.45
Rot. Bonds5

About 3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 42536012) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID42536012
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCOc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1nc(C)cs1
InChIInChI=1S/C18H18N2O4S/c1-10-6-17(22)24-15-8-14(23-3)12(7-13(10)15)4-5-16(21)20-18-19-11(2)9-25-18/h6-9H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyDTDKDEODUGGTHJ-UHFFFAOYSA-N
XLogP3.45
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
CID 42581163
methyl (2S)-2-[3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanoylamino]-3-phenylpropanoate
CID 56723795
N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
CID 71946834
3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 42536058
N-[1-(2-methoxyethyl)indol-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
CID 56763715
N-(2-chloro-4-pyridinyl)-3-(4-methyl-2-oxo-7-propan-2-yloxychromen-6-yl)propanamide
CID 29132040
2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 20999920
N-[(2R)-1-hydroxypropan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide
CID 100906391
3-(2-methoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2522764
3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 24524663
3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110678667
3-methoxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17425685

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 42536012) is 3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1nc(C)cs1.
What is the InChIKey of 3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is DTDKDEODUGGTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-10-6-17(22)24-15-8-14(23-3)12(7-13(10)15)4-5-16(21)20-18-19-11(2)9-25-18/h6-9H,4-5H2,1-3H3,(H,19,20,21).
What are the key properties of 3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 358.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 42536012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).