N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide

C16H11F2N3OS — CID 28861611

IUPACN-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide
SMILESNc1cccc(-c2csc(NC(=O)c3ccc(F)c(F)c3)n2)c1
InChIInChI=1S/C16H11F2N3OS/c17-12-5-4-10(7-13(12)18)15(22)21-16-20-14(8-23-16)9-2-1-3-11(19)6-9/h1-8H,19H2,(H,20,21,22)
InChIKeyALCFNVLASKMGDC-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.92
Rot. Bonds3

About N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide

N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide (PubChem CID 28861611) has the molecular formula C16H11F2N3OS and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide
PubChem CID28861611
Molecular FormulaC16H11F2N3OS
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC NameN-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide
SMILESNc1cccc(-c2csc(NC(=O)c3ccc(F)c(F)c3)n2)c1
InChIInChI=1S/C16H11F2N3OS/c17-12-5-4-10(7-13(12)18)15(22)21-16-20-14(8-23-16)9-2-1-3-11(19)6-9/h1-8H,19H2,(H,20,21,22)
InChIKeyALCFNVLASKMGDC-UHFFFAOYSA-N
XLogP3.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(3-aminophenyl)-1,3-thiazol-2-yl]urea
CID 43551246
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide
CID 16910435
4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4034255
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 62056845
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 8565270
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
CID 39036652
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 28861460
2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 28858327
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide
CID 16820846

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide?
The IUPAC name of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide (CID 28861611) is N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide?
The canonical SMILES for N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide is Nc1cccc(-c2csc(NC(=O)c3ccc(F)c(F)c3)n2)c1.
What is the InChIKey of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide?
The InChIKey is ALCFNVLASKMGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3OS/c17-12-5-4-10(7-13(12)18)15(22)21-16-20-14(8-23-16)9-2-1-3-11(19)6-9/h1-8H,19H2,(H,20,21,22).
What are the key properties of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide?
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide has a molecular weight of 331.35 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide is sourced from PubChem (CID 28861611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).