N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-fluoro-4-hydroxybenzamide

C14H16FN3O2S — CID 107675636

IUPACN-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-fluoro-4-hydroxybenzamide
SMILESCCNC(C)c1csc(NC(=O)c2ccc(O)cc2F)n1
InChIInChI=1S/C14H16FN3O2S/c1-3-16-8(2)12-7-21-14(17-12)18-13(20)10-5-4-9(19)6-11(10)15/h4-8,16,19H,3H2,1-2H3,(H,17,18,20)
InChIKeyDTYROQYTJXORRR-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.91
Rot. Bonds5

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

N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-fluoro-4-hydroxybenzamide (PubChem CID 107675636) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-fluoro-4-hydroxybenzamide
PubChem CID107675636
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC NameN-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-fluoro-4-hydroxybenzamide
SMILESCCNC(C)c1csc(NC(=O)c2ccc(O)cc2F)n1
InChIInChI=1S/C14H16FN3O2S/c1-3-16-8(2)12-7-21-14(17-12)18-13(20)10-5-4-9(19)6-11(10)15/h4-8,16,19H,3H2,1-2H3,(H,17,18,20)
InChIKeyDTYROQYTJXORRR-UHFFFAOYSA-N
XLogP2.91
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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]-2,5-difluorobenzamide
CID 64558466
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
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-(3-hydroxyphenyl)acetamide
CID 64556677
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64555493
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 64558266
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
4-fluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 64557871
2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 64557088

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-fluoro-4-hydroxybenzamide (CID 107675636) is N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-fluoro-4-hydroxybenzamide is CCNC(C)c1csc(NC(=O)c2ccc(O)cc2F)n1.
What is the InChIKey of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-fluoro-4-hydroxybenzamide?
The InChIKey is DTYROQYTJXORRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-3-16-8(2)12-7-21-14(17-12)18-13(20)10-5-4-9(19)6-11(10)15/h4-8,16,19H,3H2,1-2H3,(H,17,18,20).
What are the key properties of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-fluoro-4-hydroxybenzamide?
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-fluoro-4-hydroxybenzamide has a molecular weight of 309.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 107675636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).