4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-amine;dihydrobromide

C8H8Br3N3S — CID 102555190

IUPAC4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-amine;dihydrobromide
SMILESBr.Br.Nc1nc(-c2ccc(Br)cn2)cs1
InChIInChI=1S/C8H6BrN3S.2BrH/c9-5-1-2-6(11-3-5)7-4-13-8(10)12-7;;/h1-4H,(H2,10,12);2*1H
InChIKeyHDKXNXFHCQTVEB-UHFFFAOYSA-N
MW417.95 g/mol
LogP3.71
Rot. Bonds1

About 4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-amine;dihydrobromide

4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-amine;dihydrobromide (PubChem CID 102555190) has the molecular formula C8H8Br3N3S and a molecular weight of 417.95 g/mol. Its IUPAC name is 4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-amine;dihydrobromide.

Molecular Properties

Compound Name4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-amine;dihydrobromide
PubChem CID102555190
Molecular FormulaC8H8Br3N3S
Molecular Weight417.95 g/mol
Exact Mass414.80
IUPAC Name4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-amine;dihydrobromide
SMILESBr.Br.Nc1nc(-c2ccc(Br)cn2)cs1
InChIInChI=1S/C8H6BrN3S.2BrH/c9-5-1-2-6(11-3-5)7-4-13-8(10)12-7;;/h1-4H,(H2,10,12);2*1H
InChIKeyHDKXNXFHCQTVEB-UHFFFAOYSA-N
XLogP3.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.95
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-amine;dihydrobromide?
The IUPAC name of 4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-amine;dihydrobromide (CID 102555190) is 4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-amine;dihydrobromide.
What is the SMILES notation for 4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-amine;dihydrobromide?
The canonical SMILES for 4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-amine;dihydrobromide is Br.Br.Nc1nc(-c2ccc(Br)cn2)cs1.
What is the InChIKey of 4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-amine;dihydrobromide?
The InChIKey is HDKXNXFHCQTVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3S.2BrH/c9-5-1-2-6(11-3-5)7-4-13-8(10)12-7;;/h1-4H,(H2,10,12);2*1H.
What are the key properties of 4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-amine;dihydrobromide?
4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-amine;dihydrobromide has a molecular weight of 417.95 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-amine;dihydrobromide is sourced from PubChem (CID 102555190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).