N-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylthiophen-3-amine

C13H12N4S — CID 171514285

IUPACN-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylthiophen-3-amine
SMILESc1cncc(-c2sccc2NCc2cnc[nH]2)c1
InChIInChI=1S/C13H12N4S/c1-2-10(6-14-4-1)13-12(3-5-18-13)16-8-11-7-15-9-17-11/h1-7,9,16H,8H2,(H,15,17)
InChIKeyGCOCRKNIUYLJAH-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.15
Rot. Bonds4

About N-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylthiophen-3-amine

N-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylthiophen-3-amine (PubChem CID 171514285) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylthiophen-3-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylthiophen-3-amine
PubChem CID171514285
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylthiophen-3-amine
SMILESc1cncc(-c2sccc2NCc2cnc[nH]2)c1
InChIInChI=1S/C13H12N4S/c1-2-10(6-14-4-1)13-12(3-5-18-13)16-8-11-7-15-9-17-11/h1-7,9,16H,8H2,(H,15,17)
InChIKeyGCOCRKNIUYLJAH-UHFFFAOYSA-N
XLogP3.15
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine
CID 59728068
N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline
CID 13178310
8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine
CID 62763903
N-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 62763918
N-(1H-imidazol-5-ylmethyl)pyridin-2-amine
CID 65439896
N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline
CID 62762264
2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 13178302
3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline
CID 62762313
2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline
CID 62762471
2-chloro-N-(pyridin-3-ylmethyl)thiophen-3-amine
CID 130653950
3-(1H-imidazol-5-yl)pyridine;hydrochloride
CID 67500499
5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline
CID 62761956

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylthiophen-3-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylthiophen-3-amine (CID 171514285) is N-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylthiophen-3-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylthiophen-3-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylthiophen-3-amine is c1cncc(-c2sccc2NCc2cnc[nH]2)c1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylthiophen-3-amine?
The InChIKey is GCOCRKNIUYLJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-2-10(6-14-4-1)13-12(3-5-18-13)16-8-11-7-15-9-17-11/h1-7,9,16H,8H2,(H,15,17).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylthiophen-3-amine?
N-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylthiophen-3-amine has a molecular weight of 256.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylthiophen-3-amine is sourced from PubChem (CID 171514285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).