4-bromo-2-methyl-5-phenyl-1,3-thiazole

C10H8BrNS — CID 86189921

IUPAC4-bromo-2-methyl-5-phenyl-1,3-thiazole
SMILESCc1nc(Br)c(-c2ccccc2)s1
InChIInChI=1S/C10H8BrNS/c1-7-12-10(11)9(13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyXJQWKBSNAXFBSL-UHFFFAOYSA-N
MW254.15 g/mol
LogP3.88
Rot. Bonds1

About 4-bromo-2-methyl-5-phenyl-1,3-thiazole

4-bromo-2-methyl-5-phenyl-1,3-thiazole (PubChem CID 86189921) has the molecular formula C10H8BrNS and a molecular weight of 254.15 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-methyl-5-phenyl-1,3-thiazole
PubChem CID86189921
Molecular FormulaC10H8BrNS
Molecular Weight254.15 g/mol
Exact Mass252.96
IUPAC Name4-bromo-2-methyl-5-phenyl-1,3-thiazole
SMILESCc1nc(Br)c(-c2ccccc2)s1
InChIInChI=1S/C10H8BrNS/c1-7-12-10(11)9(13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyXJQWKBSNAXFBSL-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(bromomethyl)-2-methyl-5-phenyl-1,3-thiazole
CID 130090867
2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole
CID 4654127
2,4-dimethyl-5-phenyl-1,3-thiazole;fluoroform
CID 159404933
2-methyl-5-(4-methylphenyl)-4-phenyl-1,3-thiazole
CID 139241050
5-bromo-2-methyl-4-phenyl-1,3-thiazole
CID 3613557
2-methyl-5-phenyl-4-propyl-1,3-thiazole
CID 90764041
2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde
CID 15359783
4-[(4-bromophenyl)-phenylmethyl]-2-methyl-5-phenyl-1,3-thiazole
CID 46947498
(2-bromophenyl) 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate
CID 43854679
3-bromo-4-methyl-2,5-diphenylthiophene
CID 89479588
2-methyl-4-[(4-methylphenyl)-phenylmethyl]-5-phenyl-1,3-thiazole
CID 46947499
2,5-bis[4-(3,4-dimethyl-5-phenylthiophen-2-yl)phenyl]-3,4-dimethylthiophene
CID 59718202

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-phenyl-1,3-thiazole?
The IUPAC name of 4-bromo-2-methyl-5-phenyl-1,3-thiazole (CID 86189921) is 4-bromo-2-methyl-5-phenyl-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-methyl-5-phenyl-1,3-thiazole?
The canonical SMILES for 4-bromo-2-methyl-5-phenyl-1,3-thiazole is Cc1nc(Br)c(-c2ccccc2)s1.
What is the InChIKey of 4-bromo-2-methyl-5-phenyl-1,3-thiazole?
The InChIKey is XJQWKBSNAXFBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNS/c1-7-12-10(11)9(13-7)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 4-bromo-2-methyl-5-phenyl-1,3-thiazole?
4-bromo-2-methyl-5-phenyl-1,3-thiazole has a molecular weight of 254.15 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-phenyl-1,3-thiazole is sourced from PubChem (CID 86189921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).