N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,5-difluorobenzamide

C15H16F2N2OS — CID 52860990

IUPACN-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,5-difluorobenzamide
SMILESCCc1nc(CCNC(=O)c2cc(F)ccc2F)sc1C
InChIInChI=1S/C15H16F2N2OS/c1-3-13-9(2)21-14(19-13)6-7-18-15(20)11-8-10(16)4-5-12(11)17/h4-5,8H,3,6-7H2,1-2H3,(H,18,20)
InChIKeyXIOVCCPFUHELED-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.26
Rot. Bonds5

About N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,5-difluorobenzamide

N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,5-difluorobenzamide (PubChem CID 52860990) has the molecular formula C15H16F2N2OS and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,5-difluorobenzamide
PubChem CID52860990
Molecular FormulaC15H16F2N2OS
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC NameN-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,5-difluorobenzamide
SMILESCCc1nc(CCNC(=O)c2cc(F)ccc2F)sc1C
InChIInChI=1S/C15H16F2N2OS/c1-3-13-9(2)21-14(19-13)6-7-18-15(20)11-8-10(16)4-5-12(11)17/h4-5,8H,3,6-7H2,1-2H3,(H,18,20)
InChIKeyXIOVCCPFUHELED-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide
CID 110739449
1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine
CID 111230707
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-5-methoxy-2-nitrobenzamide
CID 52860951
1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine
CID 111395221
1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 109445734
1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111233372
2,5-difluoro-N-undecylbenzamide
CID 91717430
2-fluoro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 62948940
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 77085775
2-[2-[(2-fluoro-5-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372733
2-amino-5-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238603
N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33321847

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,5-difluorobenzamide?
The IUPAC name of N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,5-difluorobenzamide (CID 52860990) is N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,5-difluorobenzamide is CCc1nc(CCNC(=O)c2cc(F)ccc2F)sc1C.
What is the InChIKey of N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,5-difluorobenzamide?
The InChIKey is XIOVCCPFUHELED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2OS/c1-3-13-9(2)21-14(19-13)6-7-18-15(20)11-8-10(16)4-5-12(11)17/h4-5,8H,3,6-7H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,5-difluorobenzamide?
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,5-difluorobenzamide has a molecular weight of 310.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,5-difluorobenzamide is sourced from PubChem (CID 52860990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).