4-(3-bromophenyl)-1,3-thiazole

C9H6BrNS — CID 3916777

IUPAC4-(3-bromophenyl)-1,3-thiazole
SMILESBrc1cccc(-c2cscn2)c1
InChIInChI=1S/C9H6BrNS/c10-8-3-1-2-7(4-8)9-5-12-6-11-9/h1-6H
InChIKeyKSNVDVLNUFVSQW-UHFFFAOYSA-N
MW240.13 g/mol
LogP3.57
Rot. Bonds1

About 4-(3-bromophenyl)-1,3-thiazole

4-(3-bromophenyl)-1,3-thiazole (PubChem CID 3916777) has the molecular formula C9H6BrNS and a molecular weight of 240.13 g/mol. Its IUPAC name is 4-(3-bromophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-1,3-thiazole
PubChem CID3916777
Molecular FormulaC9H6BrNS
Molecular Weight240.13 g/mol
Exact Mass238.94
IUPAC Name4-(3-bromophenyl)-1,3-thiazole
SMILESBrc1cccc(-c2cscn2)c1
InChIInChI=1S/C9H6BrNS/c10-8-3-1-2-7(4-8)9-5-12-6-11-9/h1-6H
InChIKeyKSNVDVLNUFVSQW-UHFFFAOYSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-1,3-thiazole?
The IUPAC name of 4-(3-bromophenyl)-1,3-thiazole (CID 3916777) is 4-(3-bromophenyl)-1,3-thiazole.
What is the SMILES notation for 4-(3-bromophenyl)-1,3-thiazole?
The canonical SMILES for 4-(3-bromophenyl)-1,3-thiazole is Brc1cccc(-c2cscn2)c1.
What is the InChIKey of 4-(3-bromophenyl)-1,3-thiazole?
The InChIKey is KSNVDVLNUFVSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNS/c10-8-3-1-2-7(4-8)9-5-12-6-11-9/h1-6H.
What are the key properties of 4-(3-bromophenyl)-1,3-thiazole?
4-(3-bromophenyl)-1,3-thiazole has a molecular weight of 240.13 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-1,3-thiazole is sourced from PubChem (CID 3916777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).