3-[1-(1,3-thiazol-4-yl)ethylamino]benzamide

C12H13N3OS — CID 115928538

IUPAC3-[1-(1,3-thiazol-4-yl)ethylamino]benzamide
SMILESCC(Nc1cccc(C(N)=O)c1)c1cscn1
InChIInChI=1S/C12H13N3OS/c1-8(11-6-17-7-14-11)15-10-4-2-3-9(5-10)12(13)16/h2-8,15H,1H3,(H2,13,16)
InChIKeyUPVKJUSJWIDNIG-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.42
Rot. Bonds4

About 3-[1-(1,3-thiazol-4-yl)ethylamino]benzamide

3-[1-(1,3-thiazol-4-yl)ethylamino]benzamide (PubChem CID 115928538) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-[1-(1,3-thiazol-4-yl)ethylamino]benzamide.

Molecular Properties

Compound Name3-[1-(1,3-thiazol-4-yl)ethylamino]benzamide
PubChem CID115928538
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name3-[1-(1,3-thiazol-4-yl)ethylamino]benzamide
SMILESCC(Nc1cccc(C(N)=O)c1)c1cscn1
InChIInChI=1S/C12H13N3OS/c1-8(11-6-17-7-14-11)15-10-4-2-3-9(5-10)12(13)16/h2-8,15H,1H3,(H2,13,16)
InChIKeyUPVKJUSJWIDNIG-UHFFFAOYSA-N
XLogP2.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-hydroxyphenyl)ethylamino]benzamide
CID 43202853
3-nitro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 113486862
2-[1-(1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 113486843
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
3-(1-pyridin-3-ylethylamino)benzamide
CID 43202862
N-[1-(1,3-thiazol-4-yl)ethyl]quinolin-6-amine
CID 115928696
N-[2-fluoro-5-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
CID 115925911
3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide
CID 28650557
methyl (2S)-2-[1-(1,3-thiazol-4-yl)ethylamino]propanoate
CID 104865936
3-[1-(4-ethylphenyl)ethylamino]benzamide
CID 43202914
3-ethyl-4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 114250121
4-fluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115916752

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-thiazol-4-yl)ethylamino]benzamide?
The IUPAC name of 3-[1-(1,3-thiazol-4-yl)ethylamino]benzamide (CID 115928538) is 3-[1-(1,3-thiazol-4-yl)ethylamino]benzamide.
What is the SMILES notation for 3-[1-(1,3-thiazol-4-yl)ethylamino]benzamide?
The canonical SMILES for 3-[1-(1,3-thiazol-4-yl)ethylamino]benzamide is CC(Nc1cccc(C(N)=O)c1)c1cscn1.
What is the InChIKey of 3-[1-(1,3-thiazol-4-yl)ethylamino]benzamide?
The InChIKey is UPVKJUSJWIDNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8(11-6-17-7-14-11)15-10-4-2-3-9(5-10)12(13)16/h2-8,15H,1H3,(H2,13,16).
What are the key properties of 3-[1-(1,3-thiazol-4-yl)ethylamino]benzamide?
3-[1-(1,3-thiazol-4-yl)ethylamino]benzamide has a molecular weight of 247.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-thiazol-4-yl)ethylamino]benzamide is sourced from PubChem (CID 115928538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).