6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine

C16H16N4S — CID 43710494

IUPAC6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
SMILESCSc1ccc(CNc2ccc(-n3ccnc3)nc2)cc1
InChIInChI=1S/C16H16N4S/c1-21-15-5-2-13(3-6-15)10-18-14-4-7-16(19-11-14)20-9-8-17-12-20/h2-9,11-12,18H,10H2,1H3
InChIKeyFDBUWWNTCHSAHN-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.60
Rot. Bonds5

About 6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine

6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine (PubChem CID 43710494) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
PubChem CID43710494
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
SMILESCSc1ccc(CNc2ccc(-n3ccnc3)nc2)cc1
InChIInChI=1S/C16H16N4S/c1-21-15-5-2-13(3-6-15)10-18-14-4-7-16(19-11-14)20-9-8-17-12-20/h2-9,11-12,18H,10H2,1H3
InChIKeyFDBUWWNTCHSAHN-UHFFFAOYSA-N
XLogP3.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-6-imidazol-1-ylpyridin-3-amine
CID 43710619
N-[(3,4-dichlorophenyl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 43710546
N-[(1-ethylpyrazol-4-yl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 103934270
6-imidazol-1-yl-N-propylpyridin-3-amine
CID 43710767
6-fluoro-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
CID 103825810
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 166178985
6-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]pyridin-3-amine
CID 62957017
N-tert-butyl-6-imidazol-1-ylpyridin-3-amine
CID 167253831
6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine
CID 66410557
4-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202852
6-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine
CID 62762109
6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-3-amine
CID 62756492

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine?
The IUPAC name of 6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine (CID 43710494) is 6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine is CSc1ccc(CNc2ccc(-n3ccnc3)nc2)cc1.
What is the InChIKey of 6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine?
The InChIKey is FDBUWWNTCHSAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-21-15-5-2-13(3-6-15)10-18-14-4-7-16(19-11-14)20-9-8-17-12-20/h2-9,11-12,18H,10H2,1H3.
What are the key properties of 6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine?
6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine has a molecular weight of 296.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 43710494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).