(4-bromophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone

C12H10BrNOS — CID 121001072

IUPAC(4-bromophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone
SMILESCc1nc(C(=O)c2ccc(Br)cc2)sc1C
InChIInChI=1S/C12H10BrNOS/c1-7-8(2)16-12(14-7)11(15)9-3-5-10(13)6-4-9/h3-6H,1-2H3
InChIKeyFSUZKKQVHUGXRX-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.75
Rot. Bonds2

About (4-bromophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone

(4-bromophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone (PubChem CID 121001072) has the molecular formula C12H10BrNOS and a molecular weight of 296.19 g/mol. Its IUPAC name is (4-bromophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone
PubChem CID121001072
Molecular FormulaC12H10BrNOS
Molecular Weight296.19 g/mol
Exact Mass294.97
IUPAC Name(4-bromophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone
SMILESCc1nc(C(=O)c2ccc(Br)cc2)sc1C
InChIInChI=1S/C12H10BrNOS/c1-7-8(2)16-12(14-7)11(15)9-3-5-10(13)6-4-9/h3-6H,1-2H3
InChIKeyFSUZKKQVHUGXRX-UHFFFAOYSA-N
XLogP3.75
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone?
The IUPAC name of (4-bromophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone (CID 121001072) is (4-bromophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone is Cc1nc(C(=O)c2ccc(Br)cc2)sc1C.
What is the InChIKey of (4-bromophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone?
The InChIKey is FSUZKKQVHUGXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS/c1-7-8(2)16-12(14-7)11(15)9-3-5-10(13)6-4-9/h3-6H,1-2H3.
What are the key properties of (4-bromophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone?
(4-bromophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone has a molecular weight of 296.19 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 121001072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).