5-bromo-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine

C11H12BrN3S — CID 133413155

IUPAC5-bromo-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
SMILESCN(CCc1nccs1)c1cncc(Br)c1
InChIInChI=1S/C11H12BrN3S/c1-15(4-2-11-14-3-5-16-11)10-6-9(12)7-13-8-10/h3,5-8H,2,4H2,1H3
InChIKeyDFMPITNJCMPEKF-UHFFFAOYSA-N
MW298.21 g/mol
LogP2.98
Rot. Bonds4

About 5-bromo-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine

5-bromo-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine (PubChem CID 133413155) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
PubChem CID133413155
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name5-bromo-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
SMILESCN(CCc1nccs1)c1cncc(Br)c1
InChIInChI=1S/C11H12BrN3S/c1-15(4-2-11-14-3-5-16-11)10-6-9(12)7-13-8-10/h3,5-8H,2,4H2,1H3
InChIKeyDFMPITNJCMPEKF-UHFFFAOYSA-N
XLogP2.98
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine (CID 133413155) is 5-bromo-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine is CN(CCc1nccs1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine?
The InChIKey is DFMPITNJCMPEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-15(4-2-11-14-3-5-16-11)10-6-9(12)7-13-8-10/h3,5-8H,2,4H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine?
5-bromo-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine has a molecular weight of 298.21 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 133413155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).