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

C10H10BrNS — CID 70300312

IUPAC5-(4-bromophenyl)-2-methyl-4,5-dihydro-1,3-thiazole
SMILESCC1=NCC(c2ccc(Br)cc2)S1
InChIInChI=1S/C10H10BrNS/c1-7-12-6-10(13-7)8-2-4-9(11)5-3-8/h2-5,10H,6H2,1H3
InChIKeyYXOKRQCIYBCNSW-UHFFFAOYSA-N
MW256.17 g/mol
LogP3.66
Rot. Bonds1

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

5-(4-bromophenyl)-2-methyl-4,5-dihydro-1,3-thiazole (PubChem CID 70300312) has the molecular formula C10H10BrNS and a molecular weight of 256.17 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-methyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-methyl-4,5-dihydro-1,3-thiazole
PubChem CID70300312
Molecular FormulaC10H10BrNS
Molecular Weight256.17 g/mol
Exact Mass254.97
IUPAC Name5-(4-bromophenyl)-2-methyl-4,5-dihydro-1,3-thiazole
SMILESCC1=NCC(c2ccc(Br)cc2)S1
InChIInChI=1S/C10H10BrNS/c1-7-12-6-10(13-7)8-2-4-9(11)5-3-8/h2-5,10H,6H2,1H3
InChIKeyYXOKRQCIYBCNSW-UHFFFAOYSA-N
XLogP3.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-methyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 5-(4-bromophenyl)-2-methyl-4,5-dihydro-1,3-thiazole (CID 70300312) is 5-(4-bromophenyl)-2-methyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 5-(4-bromophenyl)-2-methyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 5-(4-bromophenyl)-2-methyl-4,5-dihydro-1,3-thiazole is CC1=NCC(c2ccc(Br)cc2)S1.
What is the InChIKey of 5-(4-bromophenyl)-2-methyl-4,5-dihydro-1,3-thiazole?
The InChIKey is YXOKRQCIYBCNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNS/c1-7-12-6-10(13-7)8-2-4-9(11)5-3-8/h2-5,10H,6H2,1H3.
What are the key properties of 5-(4-bromophenyl)-2-methyl-4,5-dihydro-1,3-thiazole?
5-(4-bromophenyl)-2-methyl-4,5-dihydro-1,3-thiazole has a molecular weight of 256.17 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-methyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 70300312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).