4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

C12H12FN3OS — CID 63831827

IUPAC4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESNc1ccc(C(=O)NCCc2cscn2)cc1F
InChIInChI=1S/C12H12FN3OS/c13-10-5-8(1-2-11(10)14)12(17)15-4-3-9-6-18-7-16-9/h1-2,5-7H,3-4,14H2,(H,15,17)
InChIKeyYFOFIAFYLYVCCR-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.84
Rot. Bonds4

About 4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 63831827) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID63831827
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESNc1ccc(C(=O)NCCc2cscn2)cc1F
InChIInChI=1S/C12H12FN3OS/c13-10-5-8(1-2-11(10)14)12(17)15-4-3-9-6-18-7-16-9/h1-2,5-7H,3-4,14H2,(H,15,17)
InChIKeyYFOFIAFYLYVCCR-UHFFFAOYSA-N
XLogP1.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.84
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

3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 79773105
3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284874
4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103957000
4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 62680036
2-fluoro-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63823726
3-fluoro-4-[2-(1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 55260097
2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284893
4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63831646
3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110313136
4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 62678700
3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284873
4-(2-hydroxyethylsulfanyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 77078608

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (CID 63831827) is 4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is Nc1ccc(C(=O)NCCc2cscn2)cc1F.
What is the InChIKey of 4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is YFOFIAFYLYVCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c13-10-5-8(1-2-11(10)14)12(17)15-4-3-9-6-18-7-16-9/h1-2,5-7H,3-4,14H2,(H,15,17).
What are the key properties of 4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 265.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 63831827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).