4-(4-bromophenyl)-3-methyl-1,3-thiazol-2-one

C10H8BrNOS — CID 12743057

IUPAC4-(4-bromophenyl)-3-methyl-1,3-thiazol-2-one
SMILESCn1c(-c2ccc(Br)cc2)csc1=O
InChIInChI=1S/C10H8BrNOS/c1-12-9(6-14-10(12)13)7-2-4-8(11)5-3-7/h2-6H,1H3
InChIKeyPHFORCCQQPTBBG-UHFFFAOYSA-N
MW270.15 g/mol
LogP2.88
Rot. Bonds1

About 4-(4-bromophenyl)-3-methyl-1,3-thiazol-2-one

4-(4-bromophenyl)-3-methyl-1,3-thiazol-2-one (PubChem CID 12743057) has the molecular formula C10H8BrNOS and a molecular weight of 270.15 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-methyl-1,3-thiazol-2-one
PubChem CID12743057
Molecular FormulaC10H8BrNOS
Molecular Weight270.15 g/mol
Exact Mass268.95
IUPAC Name4-(4-bromophenyl)-3-methyl-1,3-thiazol-2-one
SMILESCn1c(-c2ccc(Br)cc2)csc1=O
InChIInChI=1S/C10H8BrNOS/c1-12-9(6-14-10(12)13)7-2-4-8(11)5-3-7/h2-6H,1H3
InChIKeyPHFORCCQQPTBBG-UHFFFAOYSA-N
XLogP2.88
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-methyl-1,3-thiazol-2-one?
The IUPAC name of 4-(4-bromophenyl)-3-methyl-1,3-thiazol-2-one (CID 12743057) is 4-(4-bromophenyl)-3-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 4-(4-bromophenyl)-3-methyl-1,3-thiazol-2-one?
The canonical SMILES for 4-(4-bromophenyl)-3-methyl-1,3-thiazol-2-one is Cn1c(-c2ccc(Br)cc2)csc1=O.
What is the InChIKey of 4-(4-bromophenyl)-3-methyl-1,3-thiazol-2-one?
The InChIKey is PHFORCCQQPTBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOS/c1-12-9(6-14-10(12)13)7-2-4-8(11)5-3-7/h2-6H,1H3.
What are the key properties of 4-(4-bromophenyl)-3-methyl-1,3-thiazol-2-one?
4-(4-bromophenyl)-3-methyl-1,3-thiazol-2-one has a molecular weight of 270.15 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 12743057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).