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

C14H10BrNOS — CID 79839948

IUPAC4-(2-bromophenyl)-2-(furan-3-yl)-5-methyl-1,3-thiazole
SMILESCc1sc(-c2ccoc2)nc1-c1ccccc1Br
InChIInChI=1S/C14H10BrNOS/c1-9-13(11-4-2-3-5-12(11)15)16-14(18-9)10-6-7-17-8-10/h2-8H,1H3
InChIKeyXQIAIMXPRIXQFF-UHFFFAOYSA-N
MW320.21 g/mol
LogP5.14
Rot. Bonds2

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

4-(2-bromophenyl)-2-(furan-3-yl)-5-methyl-1,3-thiazole (PubChem CID 79839948) has the molecular formula C14H10BrNOS and a molecular weight of 320.21 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-(furan-3-yl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-(furan-3-yl)-5-methyl-1,3-thiazole
PubChem CID79839948
Molecular FormulaC14H10BrNOS
Molecular Weight320.21 g/mol
Exact Mass318.97
IUPAC Name4-(2-bromophenyl)-2-(furan-3-yl)-5-methyl-1,3-thiazole
SMILESCc1sc(-c2ccoc2)nc1-c1ccccc1Br
InChIInChI=1S/C14H10BrNOS/c1-9-13(11-4-2-3-5-12(11)15)16-14(18-9)10-6-7-17-8-10/h2-8H,1H3
InChIKeyXQIAIMXPRIXQFF-UHFFFAOYSA-N
XLogP5.14
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.21
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-(furan-3-yl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-(2-bromophenyl)-2-(furan-3-yl)-5-methyl-1,3-thiazole (CID 79839948) is 4-(2-bromophenyl)-2-(furan-3-yl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-(2-bromophenyl)-2-(furan-3-yl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-(2-bromophenyl)-2-(furan-3-yl)-5-methyl-1,3-thiazole is Cc1sc(-c2ccoc2)nc1-c1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-2-(furan-3-yl)-5-methyl-1,3-thiazole?
The InChIKey is XQIAIMXPRIXQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNOS/c1-9-13(11-4-2-3-5-12(11)15)16-14(18-9)10-6-7-17-8-10/h2-8H,1H3.
What are the key properties of 4-(2-bromophenyl)-2-(furan-3-yl)-5-methyl-1,3-thiazole?
4-(2-bromophenyl)-2-(furan-3-yl)-5-methyl-1,3-thiazole has a molecular weight of 320.21 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-(furan-3-yl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 79839948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).