4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide

C16H15N3OS — CID 63183072

IUPAC4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(NC2=NC(c3ccccc3)CS2)cc1
InChIInChI=1S/C16H15N3OS/c17-15(20)12-6-8-13(9-7-12)18-16-19-14(10-21-16)11-4-2-1-3-5-11/h1-9,14H,10H2,(H2,17,20)(H,18,19)
InChIKeyGNQQLUXBIXWRCD-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.04
Rot. Bonds3

About 4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide

4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide (PubChem CID 63183072) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide
PubChem CID63183072
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(NC2=NC(c3ccccc3)CS2)cc1
InChIInChI=1S/C16H15N3OS/c17-15(20)12-6-8-13(9-7-12)18-16-19-14(10-21-16)11-4-2-1-3-5-11/h1-9,14H,10H2,(H2,17,20)(H,18,19)
InChIKeyGNQQLUXBIXWRCD-UHFFFAOYSA-N
XLogP3.04
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzamide
CID 79245948
N-(3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63183120
N-(3,5-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63182910
4-phenyl-N-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 66349772
N-(4-fluoro-3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63184109
N-(4-chloro-3-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63182970
N-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63182912
N-cyclopropyl-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63183229
4-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzamide
CID 64551710
(1R)-1-[(4S)-2-anilino-4,5-dihydro-1,3-thiazol-4-yl]ethanol
CID 135044101
N-(2,5-difluoro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 103586627
N-(5-bromo-2,4-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 102854291

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide?
The IUPAC name of 4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide (CID 63183072) is 4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide.
What is the SMILES notation for 4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide?
The canonical SMILES for 4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide is NC(=O)c1ccc(NC2=NC(c3ccccc3)CS2)cc1.
What is the InChIKey of 4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide?
The InChIKey is GNQQLUXBIXWRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c17-15(20)12-6-8-13(9-7-12)18-16-19-14(10-21-16)11-4-2-1-3-5-11/h1-9,14H,10H2,(H2,17,20)(H,18,19).
What are the key properties of 4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide?
4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide has a molecular weight of 297.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide is sourced from PubChem (CID 63183072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).