2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide

C12H12FN3OS — CID 54915790

IUPAC2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CNC(=O)c2cc(F)ccc2N)n1
InChIInChI=1S/C12H12FN3OS/c1-7-6-18-11(16-7)5-15-12(17)9-4-8(13)2-3-10(9)14/h2-4,6H,5,14H2,1H3,(H,15,17)
InChIKeyLSSJBAAUTIEKEZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.10
Rot. Bonds3

About 2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide

2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 54915790) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID54915790
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CNC(=O)c2cc(F)ccc2N)n1
InChIInChI=1S/C12H12FN3OS/c1-7-6-18-11(16-7)5-15-12(17)9-4-8(13)2-3-10(9)14/h2-4,6H,5,14H2,1H3,(H,15,17)
InChIKeyLSSJBAAUTIEKEZ-UHFFFAOYSA-N
XLogP2.10
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.10
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-amino-5-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238603
3-amino-2,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 107121045
2-[2-[(2-amino-5-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374408
4-fluoro-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702374
2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238520
2-bromo-5-iodo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 113362963
5-chloro-2-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 62247849
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
CID 131895425
2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63248198
2-amino-5-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 114181175
2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238947
4-amino-2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238521

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (CID 54915790) is 2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is Cc1csc(CNC(=O)c2cc(F)ccc2N)n1.
What is the InChIKey of 2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is LSSJBAAUTIEKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-7-6-18-11(16-7)5-15-12(17)9-4-8(13)2-3-10(9)14/h2-4,6H,5,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 265.31 g/mol, XLogP of 2.10, 3 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-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 54915790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).