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

C11H13BrN4S — CID 103518204

IUPAC5-bromo-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine
SMILESCc1csc(C(C)Nc2c(N)cncc2Br)n1
InChIInChI=1S/C11H13BrN4S/c1-6-5-17-11(15-6)7(2)16-10-8(12)3-14-4-9(10)13/h3-5,7H,13H2,1-2H3,(H,14,16)
InChIKeyPUIJYYMFWMOYLR-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.36
Rot. Bonds3

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

5-bromo-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine (PubChem CID 103518204) has the molecular formula C11H13BrN4S and a molecular weight of 313.22 g/mol. Its IUPAC name is 5-bromo-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine
PubChem CID103518204
Molecular FormulaC11H13BrN4S
Molecular Weight313.22 g/mol
Exact Mass312.00
IUPAC Name5-bromo-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine
SMILESCc1csc(C(C)Nc2c(N)cncc2Br)n1
InChIInChI=1S/C11H13BrN4S/c1-6-5-17-11(15-6)7(2)16-10-8(12)3-14-4-9(10)13/h3-5,7H,13H2,1-2H3,(H,14,16)
InChIKeyPUIJYYMFWMOYLR-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

3-bromo-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine
CID 79534289
5-bromo-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3,4-diamine
CID 103517887
5-bromo-4-N-(1-pyridin-4-ylethyl)pyridine-3,4-diamine
CID 103517711
5-bromo-4-N-but-3-en-2-ylpyridine-3,4-diamine
CID 103518485
2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol
CID 103517708
5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine
CID 103517880
5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine
CID 103518518
3-methyl-5-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]isoquinoline-5,8-diamine
CID 102713439
6-amino-1-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-2,4-dione
CID 63091923
3-bromo-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenecarbothioamide
CID 82805043
4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328271
methyl 6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate
CID 66455747

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine (CID 103518204) is 5-bromo-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine is Cc1csc(C(C)Nc2c(N)cncc2Br)n1.
What is the InChIKey of 5-bromo-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine?
The InChIKey is PUIJYYMFWMOYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4S/c1-6-5-17-11(15-6)7(2)16-10-8(12)3-14-4-9(10)13/h3-5,7H,13H2,1-2H3,(H,14,16).
What are the key properties of 5-bromo-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine?
5-bromo-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3,4-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 5-bromo-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine is sourced from PubChem (CID 103518204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).