4-(4-bromophenyl)-2-chloro-1,3-thiazole

C9H5BrClNS — CID 12698563

IUPAC4-(4-bromophenyl)-2-chloro-1,3-thiazole
SMILESClc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C9H5BrClNS/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H
InChIKeyVWGXNMKQSFBNSH-UHFFFAOYSA-N
MW274.57 g/mol
LogP4.23
Rot. Bonds1

About 4-(4-bromophenyl)-2-chloro-1,3-thiazole

4-(4-bromophenyl)-2-chloro-1,3-thiazole (PubChem CID 12698563) has the molecular formula C9H5BrClNS and a molecular weight of 274.57 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-chloro-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-chloro-1,3-thiazole
PubChem CID12698563
Molecular FormulaC9H5BrClNS
Molecular Weight274.57 g/mol
Exact Mass272.90
IUPAC Name4-(4-bromophenyl)-2-chloro-1,3-thiazole
SMILESClc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C9H5BrClNS/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H
InChIKeyVWGXNMKQSFBNSH-UHFFFAOYSA-N
XLogP4.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.57
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-chloro-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-chloro-1,3-thiazole (CID 12698563) is 4-(4-bromophenyl)-2-chloro-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-chloro-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-chloro-1,3-thiazole is Clc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 4-(4-bromophenyl)-2-chloro-1,3-thiazole?
The InChIKey is VWGXNMKQSFBNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClNS/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H.
What are the key properties of 4-(4-bromophenyl)-2-chloro-1,3-thiazole?
4-(4-bromophenyl)-2-chloro-1,3-thiazole has a molecular weight of 274.57 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-chloro-1,3-thiazole is sourced from PubChem (CID 12698563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).