3-bromo-N-[(3-methylthiophen-2-yl)methyl]pyridin-4-amine

C11H11BrN2S — CID 104777162

IUPAC3-bromo-N-[(3-methylthiophen-2-yl)methyl]pyridin-4-amine
SMILESCc1ccsc1CNc1ccncc1Br
InChIInChI=1S/C11H11BrN2S/c1-8-3-5-15-11(8)7-14-10-2-4-13-6-9(10)12/h2-6H,7H2,1H3,(H,13,14)
InChIKeyZWKXDRKEMQZGLO-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.83
Rot. Bonds3

About 3-bromo-N-[(3-methylthiophen-2-yl)methyl]pyridin-4-amine

3-bromo-N-[(3-methylthiophen-2-yl)methyl]pyridin-4-amine (PubChem CID 104777162) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 3-bromo-N-[(3-methylthiophen-2-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-[(3-methylthiophen-2-yl)methyl]pyridin-4-amine
PubChem CID104777162
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name3-bromo-N-[(3-methylthiophen-2-yl)methyl]pyridin-4-amine
SMILESCc1ccsc1CNc1ccncc1Br
InChIInChI=1S/C11H11BrN2S/c1-8-3-5-15-11(8)7-14-10-2-4-13-6-9(10)12/h2-6H,7H2,1H3,(H,13,14)
InChIKeyZWKXDRKEMQZGLO-UHFFFAOYSA-N
XLogP3.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3-methylthiophen-2-yl)methylamino]-4-pyridinyl]methanol
CID 115749542
8-N-[(3-methylthiophen-2-yl)methyl]isoquinoline-5,8-diamine
CID 103138732
3-bromo-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-4-amine
CID 130763047
3-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 104776991
1,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine
CID 19626771
4-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 81248898
4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 63449338
5-fluoro-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 115750019
6-chloro-N-[(3-methylthiophen-2-yl)methyl]quinolin-4-amine
CID 154861094
2-bromo-N-[(3-bromothiophen-2-yl)methyl]-4-methylaniline
CID 63490139
5-methyl-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 112730229
2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 115749452

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-methylthiophen-2-yl)methyl]pyridin-4-amine?
The IUPAC name of 3-bromo-N-[(3-methylthiophen-2-yl)methyl]pyridin-4-amine (CID 104777162) is 3-bromo-N-[(3-methylthiophen-2-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-[(3-methylthiophen-2-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3-bromo-N-[(3-methylthiophen-2-yl)methyl]pyridin-4-amine is Cc1ccsc1CNc1ccncc1Br.
What is the InChIKey of 3-bromo-N-[(3-methylthiophen-2-yl)methyl]pyridin-4-amine?
The InChIKey is ZWKXDRKEMQZGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-8-3-5-15-11(8)7-14-10-2-4-13-6-9(10)12/h2-6H,7H2,1H3,(H,13,14).
What are the key properties of 3-bromo-N-[(3-methylthiophen-2-yl)methyl]pyridin-4-amine?
3-bromo-N-[(3-methylthiophen-2-yl)methyl]pyridin-4-amine has a molecular weight of 283.19 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-methylthiophen-2-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 104777162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).