3-bromo-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine

C11H13BrN4S — CID 79534289

IUPAC3-bromo-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine
SMILESCc1csc(C(C)Nc2ncc(N)cc2Br)n1
InChIInChI=1S/C11H13BrN4S/c1-6-5-17-11(15-6)7(2)16-10-9(12)3-8(13)4-14-10/h3-5,7H,13H2,1-2H3,(H,14,16)
InChIKeyAWFAMQWASLZKLB-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.36
Rot. Bonds3

About 3-bromo-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine

3-bromo-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine (PubChem CID 79534289) has the molecular formula C11H13BrN4S and a molecular weight of 313.22 g/mol. Its IUPAC name is 3-bromo-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine
PubChem CID79534289
Molecular FormulaC11H13BrN4S
Molecular Weight313.22 g/mol
Exact Mass312.00
IUPAC Name3-bromo-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine
SMILESCc1csc(C(C)Nc2ncc(N)cc2Br)n1
InChIInChI=1S/C11H13BrN4S/c1-6-5-17-11(15-6)7(2)16-10-9(12)3-8(13)4-14-10/h3-5,7H,13H2,1-2H3,(H,14,16)
InChIKeyAWFAMQWASLZKLB-UHFFFAOYSA-N
XLogP3.36
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine
CID 103518204
3-bromo-2-N-(1-phenylethyl)pyridine-2,5-diamine
CID 79531608
5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 106811993
2-hydrazinyl-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 80917854
3-bromo-2-N-(3,3-dimethylbutan-2-yl)pyridine-2,5-diamine
CID 104827426
3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine
CID 79531784
4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328271
2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidin-4-amine
CID 134710131
3-methyl-5-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]isoquinoline-5,8-diamine
CID 102713439
3-bromo-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenecarbothioamide
CID 82805043
6-hydrazinyl-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 81006218
6-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80845227

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine (CID 79534289) is 3-bromo-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine is Cc1csc(C(C)Nc2ncc(N)cc2Br)n1.
What is the InChIKey of 3-bromo-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine?
The InChIKey is AWFAMQWASLZKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4S/c1-6-5-17-11(15-6)7(2)16-10-9(12)3-8(13)4-14-10/h3-5,7H,13H2,1-2H3,(H,14,16).
What are the key properties of 3-bromo-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine?
3-bromo-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine has a molecular weight of 313.22 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 79534289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).