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

C11H13BrN4S — CID 114052101

IUPAC5-bromo-2-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-2,3-diamine
SMILESCCc1nc(Nc2ncc(Br)cc2N)sc1C
InChIInChI=1S/C11H13BrN4S/c1-3-9-6(2)17-11(15-9)16-10-8(13)4-7(12)5-14-10/h4-5H,3,13H2,1-2H3,(H,14,15,16)
InChIKeyHXIWSONNGTYKCS-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.50
Rot. Bonds3

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

5-bromo-2-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-2,3-diamine (PubChem CID 114052101) has the molecular formula C11H13BrN4S and a molecular weight of 313.22 g/mol. Its IUPAC name is 5-bromo-2-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-2,3-diamine
PubChem CID114052101
Molecular FormulaC11H13BrN4S
Molecular Weight313.22 g/mol
Exact Mass312.00
IUPAC Name5-bromo-2-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-2,3-diamine
SMILESCCc1nc(Nc2ncc(Br)cc2N)sc1C
InChIInChI=1S/C11H13BrN4S/c1-3-9-6(2)17-11(15-9)16-10-8(13)4-7(12)5-14-10/h4-5H,3,13H2,1-2H3,(H,14,15,16)
InChIKeyHXIWSONNGTYKCS-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-2,3-diamine (CID 114052101) is 5-bromo-2-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-2,3-diamine is CCc1nc(Nc2ncc(Br)cc2N)sc1C.
What is the InChIKey of 5-bromo-2-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-2,3-diamine?
The InChIKey is HXIWSONNGTYKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4S/c1-3-9-6(2)17-11(15-9)16-10-8(13)4-7(12)5-14-10/h4-5H,3,13H2,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-2-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-2,3-diamine?
5-bromo-2-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-2,3-diamine has a molecular weight of 313.22 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-2,3-diamine is sourced from PubChem (CID 114052101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).