N-[2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophen-3-yl]acetamide

C13H17N3OS — CID 79101536

IUPACN-[2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNn1c(C)ccc1C
InChIInChI=1S/C13H17N3OS/c1-9-4-5-10(2)16(9)14-8-13-12(6-7-18-13)15-11(3)17/h4-7,14H,8H2,1-3H3,(H,15,17)
InChIKeyNGENNYXUFKOFIN-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.87
Rot. Bonds4

About N-[2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophen-3-yl]acetamide

N-[2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophen-3-yl]acetamide (PubChem CID 79101536) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophen-3-yl]acetamide
PubChem CID79101536
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-[2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNn1c(C)ccc1C
InChIInChI=1S/C13H17N3OS/c1-9-4-5-10(2)16(9)14-8-13-12(6-7-18-13)15-11(3)17/h4-7,14H,8H2,1-3H3,(H,15,17)
InChIKeyNGENNYXUFKOFIN-UHFFFAOYSA-N
XLogP2.87
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophen-3-yl]acetamide
CID 66386200
N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
N-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 113376055
N-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide
CID 106186084
N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide
CID 66384880
N-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]thiophen-3-yl]acetamide
CID 66385180
N-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66384810
N-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide
CID 81350667
N-[2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]thiophen-3-yl]acetamide
CID 79254280
methyl 3-[(3-acetamidothiophen-2-yl)methylamino]propanoate
CID 66384915
N-[2-[(thiophen-3-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385011
N-[2-[(cyclobutylamino)methyl]thiophen-3-yl]acetamide
CID 66387598

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophen-3-yl]acetamide (CID 79101536) is N-[2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNn1c(C)ccc1C.
What is the InChIKey of N-[2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophen-3-yl]acetamide?
The InChIKey is NGENNYXUFKOFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9-4-5-10(2)16(9)14-8-13-12(6-7-18-13)15-11(3)17/h4-7,14H,8H2,1-3H3,(H,15,17).
What are the key properties of N-[2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophen-3-yl]acetamide?
N-[2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophen-3-yl]acetamide has a molecular weight of 263.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 79101536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).