2-(4-bromothiophen-2-yl)-5-chloro-4-methyl-1,3-thiazole

C8H5BrClNS2 — CID 116888006

IUPAC2-(4-bromothiophen-2-yl)-5-chloro-4-methyl-1,3-thiazole
SMILESCc1nc(-c2cc(Br)cs2)sc1Cl
InChIInChI=1S/C8H5BrClNS2/c1-4-7(10)13-8(11-4)6-2-5(9)3-12-6/h2-3H,1H3
InChIKeyHBBCPDQQZPJGBJ-UHFFFAOYSA-N
MW294.63 g/mol
LogP4.60
Rot. Bonds1

About 2-(4-bromothiophen-2-yl)-5-chloro-4-methyl-1,3-thiazole

2-(4-bromothiophen-2-yl)-5-chloro-4-methyl-1,3-thiazole (PubChem CID 116888006) has the molecular formula C8H5BrClNS2 and a molecular weight of 294.63 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-5-chloro-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-5-chloro-4-methyl-1,3-thiazole
PubChem CID116888006
Molecular FormulaC8H5BrClNS2
Molecular Weight294.63 g/mol
Exact Mass292.87
IUPAC Name2-(4-bromothiophen-2-yl)-5-chloro-4-methyl-1,3-thiazole
SMILESCc1nc(-c2cc(Br)cs2)sc1Cl
InChIInChI=1S/C8H5BrClNS2/c1-4-7(10)13-8(11-4)6-2-5(9)3-12-6/h2-3H,1H3
InChIKeyHBBCPDQQZPJGBJ-UHFFFAOYSA-N
XLogP4.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.63
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-5-chloro-4-methyl-1,3-thiazole?
The IUPAC name of 2-(4-bromothiophen-2-yl)-5-chloro-4-methyl-1,3-thiazole (CID 116888006) is 2-(4-bromothiophen-2-yl)-5-chloro-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-5-chloro-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-5-chloro-4-methyl-1,3-thiazole is Cc1nc(-c2cc(Br)cs2)sc1Cl.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-5-chloro-4-methyl-1,3-thiazole?
The InChIKey is HBBCPDQQZPJGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClNS2/c1-4-7(10)13-8(11-4)6-2-5(9)3-12-6/h2-3H,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-5-chloro-4-methyl-1,3-thiazole?
2-(4-bromothiophen-2-yl)-5-chloro-4-methyl-1,3-thiazole has a molecular weight of 294.63 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-5-chloro-4-methyl-1,3-thiazole is sourced from PubChem (CID 116888006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).