2-(5-bromothiophen-2-yl)-1,3-thiazole

C7H4BrNS2 — CID 18791073

IUPAC2-(5-bromothiophen-2-yl)-1,3-thiazole
SMILESBrc1ccc(-c2nccs2)s1
InChIInChI=1S/C7H4BrNS2/c8-6-2-1-5(11-6)7-9-3-4-10-7/h1-4H
InChIKeyPSAPJWWJFVLJCW-UHFFFAOYSA-N
MW246.15 g/mol
LogP3.63
Rot. Bonds1

About 2-(5-bromothiophen-2-yl)-1,3-thiazole

2-(5-bromothiophen-2-yl)-1,3-thiazole (PubChem CID 18791073) has the molecular formula C7H4BrNS2 and a molecular weight of 246.15 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1,3-thiazole
PubChem CID18791073
Molecular FormulaC7H4BrNS2
Molecular Weight246.15 g/mol
Exact Mass244.90
IUPAC Name2-(5-bromothiophen-2-yl)-1,3-thiazole
SMILESBrc1ccc(-c2nccs2)s1
InChIInChI=1S/C7H4BrNS2/c8-6-2-1-5(11-6)7-9-3-4-10-7/h1-4H
InChIKeyPSAPJWWJFVLJCW-UHFFFAOYSA-N
XLogP3.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1,3-thiazole?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1,3-thiazole (CID 18791073) is 2-(5-bromothiophen-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1,3-thiazole is Brc1ccc(-c2nccs2)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1,3-thiazole?
The InChIKey is PSAPJWWJFVLJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNS2/c8-6-2-1-5(11-6)7-9-3-4-10-7/h1-4H.
What are the key properties of 2-(5-bromothiophen-2-yl)-1,3-thiazole?
2-(5-bromothiophen-2-yl)-1,3-thiazole has a molecular weight of 246.15 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1,3-thiazole is sourced from PubChem (CID 18791073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).