2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide

C23H17N3O3S — CID 16914969

IUPAC2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cs1)c1ccccc1
InChIInChI=1S/C23H17N3O3S/c27-21(16-7-3-1-4-8-16)26-23-25-20(15-30-23)22(28)24-17-11-13-19(14-12-17)29-18-9-5-2-6-10-18/h1-15H,(H,24,28)(H,25,26,27)
InChIKeyRFRKMQVJVHCPAP-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.44
Rot. Bonds6

About 2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide

2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 16914969) has the molecular formula C23H17N3O3S and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID16914969
Molecular FormulaC23H17N3O3S
Molecular Weight415.47 g/mol
Exact Mass415.10
IUPAC Name2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cs1)c1ccccc1
InChIInChI=1S/C23H17N3O3S/c27-21(16-7-3-1-4-8-16)26-23-25-20(15-30-23)22(28)24-17-11-13-19(14-12-17)29-18-9-5-2-6-10-18/h1-15H,(H,24,28)(H,25,26,27)
InChIKeyRFRKMQVJVHCPAP-UHFFFAOYSA-N
XLogP5.44
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 25405382
N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567910
2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105
2-[(3,5-dimethoxybenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915246
N-(4-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948201
2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16914974
2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16914994
N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 117094559
2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide
CID 16914985
N-(4-acetamidophenyl)-2-phenoxy-1,3-thiazole-4-carboxamide
CID 117092780
2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16914979

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide (CID 16914969) is 2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1nc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cs1)c1ccccc1.
What is the InChIKey of 2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RFRKMQVJVHCPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3S/c27-21(16-7-3-1-4-8-16)26-23-25-20(15-30-23)22(28)24-17-11-13-19(14-12-17)29-18-9-5-2-6-10-18/h1-15H,(H,24,28)(H,25,26,27).
What are the key properties of 2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide?
2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16914969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).