2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

C12H12FN3OS — CID 63238947

IUPAC2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESNc1ccc(F)cc1C(=O)NCCc1nccs1
InChIInChI=1S/C12H12FN3OS/c13-8-1-2-10(14)9(7-8)12(17)16-4-3-11-15-5-6-18-11/h1-2,5-7H,3-4,14H2,(H,16,17)
InChIKeyMFVVLGZZRBZUOO-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.84
Rot. Bonds4

About 2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 63238947) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID63238947
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESNc1ccc(F)cc1C(=O)NCCc1nccs1
InChIInChI=1S/C12H12FN3OS/c13-8-1-2-10(14)9(7-8)12(17)16-4-3-11-15-5-6-18-11/h1-2,5-7H,3-4,14H2,(H,16,17)
InChIKeyMFVVLGZZRBZUOO-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

2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49356336
2-amino-5-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238603
2-[2-[(2-amino-5-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374408
2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 55175798
2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107029530
3-amino-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 112575884
2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 82546791
4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238691
3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103707187
2,5-difluoro-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 104699379
3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 110474816
2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 43132619

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (CID 63238947) is 2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is Nc1ccc(F)cc1C(=O)NCCc1nccs1.
What is the InChIKey of 2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is MFVVLGZZRBZUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c13-8-1-2-10(14)9(7-8)12(17)16-4-3-11-15-5-6-18-11/h1-2,5-7H,3-4,14H2,(H,16,17).
What are the key properties of 2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
2-amino-5-fluoro-N-[2-(1,3-thiazol-2-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 2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 63238947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).