N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide

C23H20N2O5S — CID 19229192

IUPACN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide
SMILESCCOc1ccc(-c2nc(NC(=O)c3cc4cc(OC)ccc4oc3=O)sc2C)cc1
InChIInChI=1S/C23H20N2O5S/c1-4-29-16-7-5-14(6-8-16)20-13(2)31-23(24-20)25-21(26)18-12-15-11-17(28-3)9-10-19(15)30-22(18)27/h5-12H,4H2,1-3H3,(H,24,25,26)
InChIKeyAGTFONVZZSIOOW-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.88
Rot. Bonds6

About N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide

N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide (PubChem CID 19229192) has the molecular formula C23H20N2O5S and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide
PubChem CID19229192
Molecular FormulaC23H20N2O5S
Molecular Weight436.49 g/mol
Exact Mass436.11
IUPAC NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide
SMILESCCOc1ccc(-c2nc(NC(=O)c3cc4cc(OC)ccc4oc3=O)sc2C)cc1
InChIInChI=1S/C23H20N2O5S/c1-4-29-16-7-5-14(6-8-16)20-13(2)31-23(24-20)25-21(26)18-12-15-11-17(28-3)9-10-19(15)30-22(18)27/h5-12H,4H2,1-3H3,(H,24,25,26)
InChIKeyAGTFONVZZSIOOW-UHFFFAOYSA-N
XLogP4.88
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.88
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

6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide
CID 19207124
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 5203850
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide
CID 1185919
6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 4913043
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4557450
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 4200975
2-amino-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177185
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide
CID 19207167
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-methoxy-2-oxochromene-3-carboxamide
CID 19229187
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-methylquinoline-3-carboxamide
CID 33077128
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 3260995
6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
CID 3786468

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide (CID 19229192) is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide is CCOc1ccc(-c2nc(NC(=O)c3cc4cc(OC)ccc4oc3=O)sc2C)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is AGTFONVZZSIOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5S/c1-4-29-16-7-5-14(6-8-16)20-13(2)31-23(24-20)25-21(26)18-12-15-11-17(28-3)9-10-19(15)30-22(18)27/h5-12H,4H2,1-3H3,(H,24,25,26).
What are the key properties of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide?
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 19229192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).