3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide

C11H9F2N3OS — CID 55160396

IUPAC3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCNc1c(F)cc(C(=O)Nc2nccs2)cc1F
InChIInChI=1S/C11H9F2N3OS/c1-14-9-7(12)4-6(5-8(9)13)10(17)16-11-15-2-3-18-11/h2-5,14H,1H3,(H,15,16,17)
InChIKeyYJXIJMMOESPRRA-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.72
Rot. Bonds3

About 3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide

3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 55160396) has the molecular formula C11H9F2N3OS and a molecular weight of 269.28 g/mol. Its IUPAC name is 3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID55160396
Molecular FormulaC11H9F2N3OS
Molecular Weight269.28 g/mol
Exact Mass269.04
IUPAC Name3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCNc1c(F)cc(C(=O)Nc2nccs2)cc1F
InChIInChI=1S/C11H9F2N3OS/c1-14-9-7(12)4-6(5-8(9)13)10(17)16-11-15-2-3-18-11/h2-5,14H,1H3,(H,15,16,17)
InChIKeyYJXIJMMOESPRRA-UHFFFAOYSA-N
XLogP2.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-difluoro-4-hydrazinyl-N-(1,3-thiazol-2-yl)benzamide
CID 63186769
3-amino-5-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 60861340
3-chloro-4-(methylamino)-5-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 62173212
6-(methylamino)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62171449
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 60564390
3,5-dinitro-N-(1,3-thiazol-2-yl)benzamide;hydrate
CID 139080774
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
5-ethyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 3354816
5-propan-2-yl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 17190991
4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 86046988
3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 143922390

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide (CID 55160396) is 3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide is CNc1c(F)cc(C(=O)Nc2nccs2)cc1F.
What is the InChIKey of 3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is YJXIJMMOESPRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3OS/c1-14-9-7(12)4-6(5-8(9)13)10(17)16-11-15-2-3-18-11/h2-5,14H,1H3,(H,15,16,17).
What are the key properties of 3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide?
3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 269.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 55160396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).