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

C13H13F2N3OS — CID 107120715

IUPAC3-amino-2,5-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncc(CN(C)C(=O)c2cc(F)cc(N)c2F)s1
InChIInChI=1S/C13H13F2N3OS/c1-7-17-5-9(20-7)6-18(2)13(19)10-3-8(14)4-11(16)12(10)15/h3-5H,6,16H2,1-2H3
InChIKeyFLFCOXJHMIANED-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.58
Rot. Bonds3

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

3-amino-2,5-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 107120715) has the molecular formula C13H13F2N3OS and a molecular weight of 297.33 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID107120715
Molecular FormulaC13H13F2N3OS
Molecular Weight297.33 g/mol
Exact Mass297.07
IUPAC Name3-amino-2,5-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncc(CN(C)C(=O)c2cc(F)cc(N)c2F)s1
InChIInChI=1S/C13H13F2N3OS/c1-7-17-5-9(20-7)6-18(2)13(19)10-3-8(14)4-11(16)12(10)15/h3-5H,6,16H2,1-2H3
InChIKeyFLFCOXJHMIANED-UHFFFAOYSA-N
XLogP2.58
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 61110078
3,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-4-carboxamide
CID 114038446
3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide
CID 107121456
3-amino-2,5-difluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 107120541
4-amino-3-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 107074564
5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 65309172
3,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113349585
4-amino-1-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide
CID 65357552
2,2,2-trifluoroethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 61067669
3-amino-2,5-difluoro-N-methyl-N-pentylbenzamide
CID 107120492
3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 107121238
2-hydroxyethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 79346230

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 3-amino-2,5-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 107120715) is 3-amino-2,5-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is Cc1ncc(CN(C)C(=O)c2cc(F)cc(N)c2F)s1.
What is the InChIKey of 3-amino-2,5-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is FLFCOXJHMIANED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3OS/c1-7-17-5-9(20-7)6-18(2)13(19)10-3-8(14)4-11(16)12(10)15/h3-5H,6,16H2,1-2H3.
What are the key properties of 3-amino-2,5-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
3-amino-2,5-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 297.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 107120715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).