5-bromo-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine

C11H11BrClN3S — CID 103580161

IUPAC5-bromo-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
SMILESCc1nc(CN(C)c2ncc(Br)cc2Cl)cs1
InChIInChI=1S/C11H11BrClN3S/c1-7-15-9(6-17-7)5-16(2)11-10(13)3-8(12)4-14-11/h3-4,6H,5H2,1-2H3
InChIKeyAZNBFESULNVJEX-UHFFFAOYSA-N
MW332.65 g/mol
LogP3.90
Rot. Bonds3

About 5-bromo-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine

5-bromo-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine (PubChem CID 103580161) has the molecular formula C11H11BrClN3S and a molecular weight of 332.65 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
PubChem CID103580161
Molecular FormulaC11H11BrClN3S
Molecular Weight332.65 g/mol
Exact Mass330.95
IUPAC Name5-bromo-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
SMILESCc1nc(CN(C)c2ncc(Br)cc2Cl)cs1
InChIInChI=1S/C11H11BrClN3S/c1-7-15-9(6-17-7)5-16(2)11-10(13)3-8(12)4-14-11/h3-4,6H,5H2,1-2H3
InChIKeyAZNBFESULNVJEX-UHFFFAOYSA-N
XLogP3.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.65
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(bromomethyl)-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 107082345
3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 55207392
4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,5-diamine
CID 79916923
N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
CID 103582930
2-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-amine
CID 103721834
4-bromo-2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 65342722
2-bromo-1-N,5-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,4-diamine
CID 114048222
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811752
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 80637021
6-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 47453755
2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide
CID 103583156
3-(bromomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine
CID 107082348

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine (CID 103580161) is 5-bromo-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine is Cc1nc(CN(C)c2ncc(Br)cc2Cl)cs1.
What is the InChIKey of 5-bromo-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is AZNBFESULNVJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3S/c1-7-15-9(6-17-7)5-16(2)11-10(13)3-8(12)4-14-11/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-bromo-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
5-bromo-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 332.65 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 103580161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).