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

C14H15F2N3OS — CID 64558466

IUPACN-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,5-difluorobenzamide
SMILESCCNC(C)c1csc(NC(=O)c2cc(F)ccc2F)n1
InChIInChI=1S/C14H15F2N3OS/c1-3-17-8(2)12-7-21-14(18-12)19-13(20)10-6-9(15)4-5-11(10)16/h4-8,17H,3H2,1-2H3,(H,18,19,20)
InChIKeyPBEGZGQEIRLXDP-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.34
Rot. Bonds5

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

N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,5-difluorobenzamide (PubChem CID 64558466) has the molecular formula C14H15F2N3OS and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,5-difluorobenzamide
PubChem CID64558466
Molecular FormulaC14H15F2N3OS
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC NameN-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,5-difluorobenzamide
SMILESCCNC(C)c1csc(NC(=O)c2cc(F)ccc2F)n1
InChIInChI=1S/C14H15F2N3OS/c1-3-17-8(2)12-7-21-14(18-12)19-13(20)10-6-9(15)4-5-11(10)16/h4-8,17H,3H2,1-2H3,(H,18,19,20)
InChIKeyPBEGZGQEIRLXDP-UHFFFAOYSA-N
XLogP3.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4-fluoro-2-hydroxybenzamide
CID 107014646
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-fluoro-4-hydroxybenzamide
CID 107675636
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
CID 64558469
2-chloro-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 64555687
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 104670033
4-fluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 64557871
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64555493
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765
2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 61479537
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 64558061
3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea
CID 79153399
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 64558266

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,5-difluorobenzamide?
The IUPAC name of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,5-difluorobenzamide (CID 64558466) is N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,5-difluorobenzamide?
The canonical SMILES for N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,5-difluorobenzamide is CCNC(C)c1csc(NC(=O)c2cc(F)ccc2F)n1.
What is the InChIKey of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,5-difluorobenzamide?
The InChIKey is PBEGZGQEIRLXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3OS/c1-3-17-8(2)12-7-21-14(18-12)19-13(20)10-6-9(15)4-5-11(10)16/h4-8,17H,3H2,1-2H3,(H,18,19,20).
What are the key properties of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,5-difluorobenzamide?
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,5-difluorobenzamide has a molecular weight of 311.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,5-difluorobenzamide is sourced from PubChem (CID 64558466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).