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

C20H14N2O3S — CID 5146842

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)cc1
InChIInChI=1S/C20H14N2O3S/c1-12-6-8-13(9-7-12)15-11-26-20(21-15)22-19(24)18-10-16(23)14-4-2-3-5-17(14)25-18/h2-11H,1H3,(H,21,22,24)
InChIKeyIVQSNLCZVBCHPL-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.48
Rot. Bonds3

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

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide (PubChem CID 5146842) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide
PubChem CID5146842
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)cc1
InChIInChI=1S/C20H14N2O3S/c1-12-6-8-13(9-7-12)15-11-26-20(21-15)22-19(24)18-10-16(23)14-4-2-3-5-17(14)25-18/h2-11H,1H3,(H,21,22,24)
InChIKeyIVQSNLCZVBCHPL-UHFFFAOYSA-N
XLogP4.48
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 747501
2,6-Dimethoxy-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 954627
ethyl 2-(4-oxo-4H-chromene-2-carboxamido)thiazole-4-carboxylate
CID 3386436
Ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 3548924
5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 903361
N-(4-(4-methoxyphenyl)thiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide
CID 3397982
2-Methoxy-N-{4-[4-(morpholine-4-sulfonyl)-phenyl]-thiazol-2-yl}-benzamide
CID 979629
N-(4-Methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide
CID 2092675
4-oxo-N-(4-phenylthiazol-2-yl)-4H-chromene-2-carboxamide
CID 746084
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]furan-2-carboxamide
CID 887512
N-(4-phenyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
CID 996522

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide (CID 5146842) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide is Cc1ccc(-c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide?
The InChIKey is IVQSNLCZVBCHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S/c1-12-6-8-13(9-7-12)15-11-26-20(21-15)22-19(24)18-10-16(23)14-4-2-3-5-17(14)25-18/h2-11H,1H3,(H,21,22,24).
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 5146842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).