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

C14H14BrNS — CID 107924759

IUPAC4-(4-bromophenyl)-2-(2,2-dimethylcyclopropyl)-1,3-thiazole
SMILESCC1(C)CC1c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C14H14BrNS/c1-14(2)7-11(14)13-16-12(8-17-13)9-3-5-10(15)6-4-9/h3-6,8,11H,7H2,1-2H3
InChIKeyOIKQVOWHVMUEJH-UHFFFAOYSA-N
MW308.24 g/mol
LogP5.09
Rot. Bonds2

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

4-(4-bromophenyl)-2-(2,2-dimethylcyclopropyl)-1,3-thiazole (PubChem CID 107924759) has the molecular formula C14H14BrNS and a molecular weight of 308.24 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-(2,2-dimethylcyclopropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-(2,2-dimethylcyclopropyl)-1,3-thiazole
PubChem CID107924759
Molecular FormulaC14H14BrNS
Molecular Weight308.24 g/mol
Exact Mass307.00
IUPAC Name4-(4-bromophenyl)-2-(2,2-dimethylcyclopropyl)-1,3-thiazole
SMILESCC1(C)CC1c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C14H14BrNS/c1-14(2)7-11(14)13-16-12(8-17-13)9-3-5-10(15)6-4-9/h3-6,8,11H,7H2,1-2H3
InChIKeyOIKQVOWHVMUEJH-UHFFFAOYSA-N
XLogP5.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.24
LogP ≤ 55.09
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-(2,2-dimethylcyclopropyl)-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-(2,2-dimethylcyclopropyl)-1,3-thiazole (CID 107924759) is 4-(4-bromophenyl)-2-(2,2-dimethylcyclopropyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-(2,2-dimethylcyclopropyl)-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-(2,2-dimethylcyclopropyl)-1,3-thiazole is CC1(C)CC1c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 4-(4-bromophenyl)-2-(2,2-dimethylcyclopropyl)-1,3-thiazole?
The InChIKey is OIKQVOWHVMUEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNS/c1-14(2)7-11(14)13-16-12(8-17-13)9-3-5-10(15)6-4-9/h3-6,8,11H,7H2,1-2H3.
What are the key properties of 4-(4-bromophenyl)-2-(2,2-dimethylcyclopropyl)-1,3-thiazole?
4-(4-bromophenyl)-2-(2,2-dimethylcyclopropyl)-1,3-thiazole has a molecular weight of 308.24 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-(2,2-dimethylcyclopropyl)-1,3-thiazole is sourced from PubChem (CID 107924759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).