N-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide

C15H17FN2O2S — CID 32995528

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)c(F)c1
InChIInChI=1S/C15H17FN2O2S/c1-15(2,3)12-8-21-14(17-12)18-13(19)10-6-5-9(20-4)7-11(10)16/h5-8H,1-4H3,(H,17,18,19)
InChIKeyZUPMBRSGBUWMQZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.84
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide (PubChem CID 32995528) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide
PubChem CID32995528
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)c(F)c1
InChIInChI=1S/C15H17FN2O2S/c1-15(2,3)12-8-21-14(17-12)18-13(19)10-6-5-9(20-4)7-11(10)16/h5-8H,1-4H3,(H,17,18,19)
InChIKeyZUPMBRSGBUWMQZ-UHFFFAOYSA-N
XLogP3.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxybenzamide
CID 42995916
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 3372647
4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863689
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide
CID 60654609
N-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-bis(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 59232774
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloro-5-methylsulfanylbenzamide
CID 26243504
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chloro-2-hydrazinylbenzamide
CID 62237022
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dichlorothiophene-3-carboxamide
CID 4619806
2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848687
N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide
CID 103659243
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide
CID 113323542

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide (CID 32995528) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)c(F)c1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide?
The InChIKey is ZUPMBRSGBUWMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-15(2,3)12-8-21-14(17-12)18-13(19)10-6-5-9(20-4)7-11(10)16/h5-8H,1-4H3,(H,17,18,19).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide has a molecular weight of 308.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 32995528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).