4-bromo-N-ethyl-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine

C11H12BrN3S — CID 123176105

IUPAC4-bromo-N-ethyl-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine
SMILESCCN(C)c1sc(-c2cccnc2)nc1Br
InChIInChI=1S/C11H12BrN3S/c1-3-15(2)11-9(12)14-10(16-11)8-5-4-6-13-7-8/h4-7H,3H2,1-2H3
InChIKeyHPAWZSWXZNAPMH-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.42
Rot. Bonds3

About 4-bromo-N-ethyl-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine

4-bromo-N-ethyl-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine (PubChem CID 123176105) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine
PubChem CID123176105
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name4-bromo-N-ethyl-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine
SMILESCCN(C)c1sc(-c2cccnc2)nc1Br
InChIInChI=1S/C11H12BrN3S/c1-3-15(2)11-9(12)14-10(16-11)8-5-4-6-13-7-8/h4-7H,3H2,1-2H3
InChIKeyHPAWZSWXZNAPMH-UHFFFAOYSA-N
XLogP3.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-methyl-4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 126635045
tert-butyl N-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylcarbamate
CID 59580716
4-bromo-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 160725077
tert-butyl N-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methylcarbamate;tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;methane
CID 158950434
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylprop-2-enamide
CID 59580463
tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
CID 59580635
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-2-sulfanylacetamide
CID 89012295
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methylidenebutanamide
CID 59580612
N-ethyl-2,2,2-trifluoro-N-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 59580833
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-pyridin-4-ylacetamide
CID 59580699
N-[4-(iodomethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide
CID 89447201
ethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole
CID 178171856

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine?
The IUPAC name of 4-bromo-N-ethyl-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine (CID 123176105) is 4-bromo-N-ethyl-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-bromo-N-ethyl-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine?
The canonical SMILES for 4-bromo-N-ethyl-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine is CCN(C)c1sc(-c2cccnc2)nc1Br.
What is the InChIKey of 4-bromo-N-ethyl-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine?
The InChIKey is HPAWZSWXZNAPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-3-15(2)11-9(12)14-10(16-11)8-5-4-6-13-7-8/h4-7H,3H2,1-2H3.
What are the key properties of 4-bromo-N-ethyl-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine?
4-bromo-N-ethyl-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine has a molecular weight of 298.21 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine is sourced from PubChem (CID 123176105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).