N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide

C20H14N2O4S — CID 3397982

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)cc1
InChIInChI=1S/C20H14N2O4S/c1-25-13-8-6-12(7-9-13)15-11-27-20(21-15)22-19(24)18-10-16(23)14-4-2-3-5-17(14)26-18/h2-11H,1H3,(H,21,22,24)
InChIKeyNDJDFASWUZEZMI-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.18
Rot. Bonds4

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide (PubChem CID 3397982) has the molecular formula C20H14N2O4S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide
PubChem CID3397982
Molecular FormulaC20H14N2O4S
Molecular Weight378.41 g/mol
Exact Mass378.07
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)cc1
InChIInChI=1S/C20H14N2O4S/c1-25-13-8-6-12(7-9-13)15-11-27-20(21-15)22-19(24)18-10-16(23)14-4-2-3-5-17(14)26-18/h2-11H,1H3,(H,21,22,24)
InChIKeyNDJDFASWUZEZMI-UHFFFAOYSA-N
XLogP4.18
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide (CID 3397982) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide is COc1ccc(-c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide?
The InChIKey is NDJDFASWUZEZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4S/c1-25-13-8-6-12(7-9-13)15-11-27-20(21-15)22-19(24)18-10-16(23)14-4-2-3-5-17(14)26-18/h2-11H,1H3,(H,21,22,24).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 3397982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).