N-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide

C18H16N2O3S — CID 46460468

IUPACN-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc(-c3ccccc3)s2)c1
InChIInChI=1S/C18H16N2O3S/c1-22-13-8-9-15(23-2)14(10-13)20-17(21)16-11-19-18(24-16)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,21)
InChIKeyGBISZIGWWUOPCD-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.08
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide

N-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 46460468) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID46460468
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc(-c3ccccc3)s2)c1
InChIInChI=1S/C18H16N2O3S/c1-22-13-8-9-15(23-2)14(10-13)20-17(21)16-11-19-18(24-16)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,21)
InChIKeyGBISZIGWWUOPCD-UHFFFAOYSA-N
XLogP4.08
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 55704407
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
N-(2-ethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 86997626
N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27844583
N-(2,5-dimethylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 46484824
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
N-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 99812022
methyl 3-fluoro-4-methyl-5-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]benzoate
CID 99704090
N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide
CID 110860541
N-(2-amino-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103805177
2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82424257
N-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
CID 20913648

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide (CID 46460468) is N-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide is COc1ccc(OC)c(NC(=O)c2cnc(-c3ccccc3)s2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is GBISZIGWWUOPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-22-13-8-9-15(23-2)14(10-13)20-17(21)16-11-19-18(24-16)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide?
N-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46460468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).