4-bromo-N-pyrrol-1-yl-1,3-thiazol-2-amine

C7H6BrN3S — CID 79398671

IUPAC4-bromo-N-pyrrol-1-yl-1,3-thiazol-2-amine
SMILESBrc1csc(Nn2cccc2)n1
InChIInChI=1S/C7H6BrN3S/c8-6-5-12-7(9-6)10-11-3-1-2-4-11/h1-5H,(H,9,10)
InChIKeyAOAWJILYMBMRRO-UHFFFAOYSA-N
MW244.12 g/mol
LogP2.58
Rot. Bonds2

About 4-bromo-N-pyrrol-1-yl-1,3-thiazol-2-amine

4-bromo-N-pyrrol-1-yl-1,3-thiazol-2-amine (PubChem CID 79398671) has the molecular formula C7H6BrN3S and a molecular weight of 244.12 g/mol. Its IUPAC name is 4-bromo-N-pyrrol-1-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-pyrrol-1-yl-1,3-thiazol-2-amine
PubChem CID79398671
Molecular FormulaC7H6BrN3S
Molecular Weight244.12 g/mol
Exact Mass242.95
IUPAC Name4-bromo-N-pyrrol-1-yl-1,3-thiazol-2-amine
SMILESBrc1csc(Nn2cccc2)n1
InChIInChI=1S/C7H6BrN3S/c8-6-5-12-7(9-6)10-11-3-1-2-4-11/h1-5H,(H,9,10)
InChIKeyAOAWJILYMBMRRO-UHFFFAOYSA-N
XLogP2.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-pyrrol-1-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-pyrrol-1-yl-1,3-thiazol-2-amine (CID 79398671) is 4-bromo-N-pyrrol-1-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-pyrrol-1-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-pyrrol-1-yl-1,3-thiazol-2-amine is Brc1csc(Nn2cccc2)n1.
What is the InChIKey of 4-bromo-N-pyrrol-1-yl-1,3-thiazol-2-amine?
The InChIKey is AOAWJILYMBMRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3S/c8-6-5-12-7(9-6)10-11-3-1-2-4-11/h1-5H,(H,9,10).
What are the key properties of 4-bromo-N-pyrrol-1-yl-1,3-thiazol-2-amine?
4-bromo-N-pyrrol-1-yl-1,3-thiazol-2-amine has a molecular weight of 244.12 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-pyrrol-1-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 79398671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).