2-(3-bromophenyl)-5-methyl-4-thiophen-2-yl-1,3-thiazole

C14H10BrNS2 — CID 79831085

IUPAC2-(3-bromophenyl)-5-methyl-4-thiophen-2-yl-1,3-thiazole
SMILESCc1sc(-c2cccc(Br)c2)nc1-c1cccs1
InChIInChI=1S/C14H10BrNS2/c1-9-13(12-6-3-7-17-12)16-14(18-9)10-4-2-5-11(15)8-10/h2-8H,1H3
InChIKeyISVGAWGCONDOTA-UHFFFAOYSA-N
MW336.28 g/mol
LogP5.61
Rot. Bonds2

About 2-(3-bromophenyl)-5-methyl-4-thiophen-2-yl-1,3-thiazole

2-(3-bromophenyl)-5-methyl-4-thiophen-2-yl-1,3-thiazole (PubChem CID 79831085) has the molecular formula C14H10BrNS2 and a molecular weight of 336.28 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-methyl-4-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-methyl-4-thiophen-2-yl-1,3-thiazole
PubChem CID79831085
Molecular FormulaC14H10BrNS2
Molecular Weight336.28 g/mol
Exact Mass334.94
IUPAC Name2-(3-bromophenyl)-5-methyl-4-thiophen-2-yl-1,3-thiazole
SMILESCc1sc(-c2cccc(Br)c2)nc1-c1cccs1
InChIInChI=1S/C14H10BrNS2/c1-9-13(12-6-3-7-17-12)16-14(18-9)10-4-2-5-11(15)8-10/h2-8H,1H3
InChIKeyISVGAWGCONDOTA-UHFFFAOYSA-N
XLogP5.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.28
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-methyl-4-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 2-(3-bromophenyl)-5-methyl-4-thiophen-2-yl-1,3-thiazole (CID 79831085) is 2-(3-bromophenyl)-5-methyl-4-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(3-bromophenyl)-5-methyl-4-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 2-(3-bromophenyl)-5-methyl-4-thiophen-2-yl-1,3-thiazole is Cc1sc(-c2cccc(Br)c2)nc1-c1cccs1.
What is the InChIKey of 2-(3-bromophenyl)-5-methyl-4-thiophen-2-yl-1,3-thiazole?
The InChIKey is ISVGAWGCONDOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNS2/c1-9-13(12-6-3-7-17-12)16-14(18-9)10-4-2-5-11(15)8-10/h2-8H,1H3.
What are the key properties of 2-(3-bromophenyl)-5-methyl-4-thiophen-2-yl-1,3-thiazole?
2-(3-bromophenyl)-5-methyl-4-thiophen-2-yl-1,3-thiazole has a molecular weight of 336.28 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-methyl-4-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 79831085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).